The crystal structure described by Li4TiCrO6 is Caswellsilverite-derived structured and crystallizes in the triclinic P1 space group. There are sixteen inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(15), one O(17), one O(23), one O(3), one O(5), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one Li(6)O6 octahedra,  a cornercorner with one Li(8)O6 octahedra,  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(3)O6 octahedra,  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(4)O6 octahedra,  an edgeedge with one Li(12)O6 octahedra,  an edgeedge with one Li(14)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(3)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra,  an edgeedge with one Cr(3)O6 octahedra, edges with two equivalent Li(11)O6 octahedra, and edges with two equivalent Li(13)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-9°. In the second Li site, Li(2) is bonded to one O(10), one O(16), one O(18), one O(24), one O(4), and one O(6) atom to form LiO6 octahedra that share  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one Li(7)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Ti(4)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Cr(3)O6 octahedra,  an edgeedge with one Li(11)O6 octahedra,  an edgeedge with one Li(13)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Ti(4)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra,  an edgeedge with one Cr(4)O6 octahedra, edges with two equivalent Li(12)O6 octahedra, and edges with two equivalent Li(14)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-9°. In the third Li site, Li(3) is bonded to one O(1), one O(11), one O(14), one O(20), one O(21), and one O(8) atom to form LiO6 octahedra that share  a cornercorner with one Li(6)O6 octahedra,  a cornercorner with one Li(7)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Ti(3)O6 octahedra,  a cornercorner with one Cr(3)O6 octahedra,  a cornercorner with one Cr(4)O6 octahedra,  an edgeedge with one Li(16)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Li(9)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(4)O6 octahedra,  an edgeedge with one Cr(3)O6 octahedra,  an edgeedge with one Cr(4)O6 octahedra, edges with two equivalent Li(10)O6 octahedra, and edges with two equivalent Li(15)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-9°. In the fourth Li site, Li(4) is bonded to one O(12), one O(13), one O(19), one O(2), one O(22), and one O(7) atom to form LiO6 octahedra that share  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one Li(8)O6 octahedra,  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(4)O6 octahedra,  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  an edgeedge with one Li(10)O6 octahedra,  an edgeedge with one Li(15)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Ti(3)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra, edges with two equivalent Li(16)O6 octahedra, and edges with two equivalent Li(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-9°. In the fifth Li site, Li(5) is bonded to one O(11), one O(20), one O(23), one O(6), one O(7), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one Li(10)O6 octahedra,  a cornercorner with one Li(11)O6 octahedra,  a cornercorner with one Li(13)O6 octahedra,  a cornercorner with one Li(15)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(12)O6 octahedra,  an edgeedge with one Li(13)O6 octahedra,  an edgeedge with one Li(15)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(9)O6 octahedra,  an edgeedge with one Ti(4)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra, edges with two equivalent Ti(3)O6 octahedra, and edges with two equivalent Cr(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-10°. In the sixth Li site, Li(6) is bonded to one O(10), one O(12), one O(19), one O(24), one O(5), and one O(8) atom to form LiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(12)O6 octahedra,  a cornercorner with one Li(14)O6 octahedra,  a cornercorner with one Li(16)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(9)O6 octahedra,  an edgeedge with one Li(10)O6 octahedra,  an edgeedge with one Li(11)O6 octahedra,  an edgeedge with one Li(14)O6 octahedra,  an edgeedge with one Li(16)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Ti(3)O6 octahedra,  an edgeedge with one Cr(4)O6 octahedra, edges with two equivalent Ti(4)O6 octahedra, and edges with two equivalent Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-10°. In the seventh Li site, Li(7) is bonded to one O(1), one O(13), one O(15), one O(17), one O(22), and one O(4) atom to form LiO6 octahedra that share  a cornercorner with one Li(11)O6 octahedra,  a cornercorner with one Li(13)O6 octahedra,  a cornercorner with one Li(16)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(9)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(11)O6 octahedra,  an edgeedge with one Li(14)O6 octahedra,  an edgeedge with one Li(15)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(9)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Cr(3)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, and edges with two equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-10°. In the eighth Li site, Li(8) is bonded to one O(14), one O(16), one O(18), one O(2), one O(21), and one O(3) atom to form LiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(10)O6 octahedra,  a cornercorner with one Li(12)O6 octahedra,  a cornercorner with one Li(14)O6 octahedra,  a cornercorner with one Li(15)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  an edgeedge with one Li(10)O6 octahedra,  an edgeedge with one Li(12)O6 octahedra,  an edgeedge with one Li(13)O6 octahedra,  an edgeedge with one Li(16)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, and edges with two equivalent Cr(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-10°. In the ninth Li site, Li(9) is bonded to one O(1), one O(11), one O(13), one O(19), one O(22), and one O(7) atom to form LiO6 octahedra that share  a cornercorner with one Li(6)O6 octahedra,  a cornercorner with one Li(7)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Ti(3)O6 octahedra,  a cornercorner with one Cr(3)O6 octahedra,  a cornercorner with one Cr(4)O6 octahedra,  an edgeedge with one Li(16)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(3)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra, edges with two equivalent Li(15)O6 octahedra, and edges with two equivalent Li(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-10°. In the tenth Li site, Li(10) is bonded to one O(12), one O(14), one O(2), one O(20), one O(21), and one O(8) atom to form LiO6 octahedra that share  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one Li(8)O6 octahedra,  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(4)O6 octahedra,  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  an edgeedge with one Li(15)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Ti(4)O6 octahedra,  an edgeedge with one Cr(3)O6 octahedra,  an edgeedge with one Cr(4)O6 octahedra, edges with two equivalent Li(16)O6 octahedra, and edges with two equivalent Li(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-10°. In the eleventh Li site, Li(11) is bonded to one O(15), one O(17), one O(24), one O(4), one O(5), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one Li(7)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Ti(4)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Cr(3)O6 octahedra,  an edgeedge with one Li(13)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(3)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, and edges with two equivalent Li(14)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-10°. In the twelfth Li site, Li(12) is bonded to one O(10), one O(16), one O(18), one O(23), one O(3), and one O(6) atom to form LiO6 octahedra that share  a cornercorner with one Li(6)O6 octahedra,  a cornercorner with one Li(8)O6 octahedra,  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(3)O6 octahedra,  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(4)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(14)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Ti(4)O6 octahedra,  an edgeedge with one Cr(3)O6 octahedra,  an edgeedge with one Cr(4)O6 octahedra, edges with two equivalent Li(13)O6 octahedra, and edges with two equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-9°. In the thirteenth Li site, Li(13) is bonded to one O(15), one O(18), one O(23), one O(3), one O(6), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one Li(7)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Ti(4)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Cr(3)O6 octahedra,  an edgeedge with one Li(11)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(3)O6 octahedra,  an edgeedge with one Cr(3)O6 octahedra,  an edgeedge with one Cr(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, and edges with two equivalent Li(12)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-10°. In the fourteenth Li site, Li(14) is bonded to one O(10), one O(16), one O(17), one O(24), one O(4), and one O(5) atom to form LiO6 octahedra that share  a cornercorner with one Li(6)O6 octahedra,  a cornercorner with one Li(8)O6 octahedra,  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(3)O6 octahedra,  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(4)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(12)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Ti(4)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra, edges with two equivalent Li(11)O6 octahedra, and edges with two equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-10°. In the fifteenth Li site, Li(15) is bonded to one O(1), one O(11), one O(13), one O(20), one O(21), and one O(7) atom to form LiO6 octahedra that share  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one Li(8)O6 octahedra,  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(4)O6 octahedra,  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  an edgeedge with one Li(10)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(3)O6 octahedra,  an edgeedge with one Cr(3)O6 octahedra,  an edgeedge with one Cr(4)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, and edges with two equivalent Li(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-10°. In the sixteenth Li site, Li(16) is bonded to one O(12), one O(14), one O(19), one O(2), one O(22), and one O(8) atom to form LiO6 octahedra that share  a cornercorner with one Li(6)O6 octahedra,  a cornercorner with one Li(7)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Ti(3)O6 octahedra,  a cornercorner with one Cr(3)O6 octahedra,  a cornercorner with one Cr(4)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Li(9)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Ti(4)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra, edges with two equivalent Li(10)O6 octahedra, and edges with two equivalent Li(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-10°. There are four inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(13), one O(15), one O(17), one O(21), and one O(3) atom to form TiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(10)O6 octahedra,  a cornercorner with one Li(12)O6 octahedra,  a cornercorner with one Li(14)O6 octahedra,  a cornercorner with one Li(15)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(11)O6 octahedra,  an edgeedge with one Li(13)O6 octahedra,  an edgeedge with one Li(15)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Li(9)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra, edges with two equivalent Li(7)O6 octahedra, and edges with two equivalent Cr(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-10°. In the second Ti site, Ti(2) is bonded to one O(14), one O(16), one O(18), one O(2), one O(22), and one O(4) atom to form TiO6 octahedra that share  a cornercorner with one Li(11)O6 octahedra,  a cornercorner with one Li(13)O6 octahedra,  a cornercorner with one Li(16)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(9)O6 octahedra,  an edgeedge with one Li(10)O6 octahedra,  an edgeedge with one Li(12)O6 octahedra,  an edgeedge with one Li(14)O6 octahedra,  an edgeedge with one Li(16)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Cr(3)O6 octahedra, edges with two equivalent Li(8)O6 octahedra, and edges with two equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-10°. In the third Ti site, Ti(3) is bonded to one O(11), one O(19), one O(23), one O(5), one O(7), and one O(9) atom to form TiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(12)O6 octahedra,  a cornercorner with one Li(14)O6 octahedra,  a cornercorner with one Li(16)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(9)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(11)O6 octahedra,  an edgeedge with one Li(13)O6 octahedra,  an edgeedge with one Li(15)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Li(9)O6 octahedra,  an edgeedge with one Cr(4)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, and edges with two equivalent Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-9°. In the fourth Ti site, Ti(4) is bonded to one O(10), one O(12), one O(20), one O(24), one O(6), and one O(8) atom to form TiO6 octahedra that share  a cornercorner with one Li(10)O6 octahedra,  a cornercorner with one Li(11)O6 octahedra,  a cornercorner with one Li(13)O6 octahedra,  a cornercorner with one Li(15)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  an edgeedge with one Li(10)O6 octahedra,  an edgeedge with one Li(12)O6 octahedra,  an edgeedge with one Li(14)O6 octahedra,  an edgeedge with one Li(16)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, and edges with two equivalent Cr(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-10°. There are four inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(13), one O(16), one O(17), one O(2), one O(22), and one O(4) atom to form CrO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(10)O6 octahedra,  a cornercorner with one Li(12)O6 octahedra,  a cornercorner with one Li(14)O6 octahedra,  a cornercorner with one Li(15)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  an edgeedge with one Li(11)O6 octahedra,  an edgeedge with one Li(14)O6 octahedra,  an edgeedge with one Li(16)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Li(9)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra, edges with two equivalent Li(7)O6 octahedra, and edges with two equivalent Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-8°. In the second Cr site, Cr(2) is bonded to one O(12), one O(19), one O(24), one O(5), one O(7), and one O(9) atom to form CrO6 octahedra that share  a cornercorner with one Li(10)O6 octahedra,  a cornercorner with one Li(11)O6 octahedra,  a cornercorner with one Li(13)O6 octahedra,  a cornercorner with one Li(15)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(11)O6 octahedra,  an edgeedge with one Li(14)O6 octahedra,  an edgeedge with one Li(16)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(9)O6 octahedra,  an edgeedge with one Ti(4)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, and edges with two equivalent Ti(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-8°. In the third Cr site, Cr(3) is bonded to one O(1), one O(14), one O(15), one O(18), one O(21), and one O(3) atom to form CrO6 octahedra that share  a cornercorner with one Li(11)O6 octahedra,  a cornercorner with one Li(13)O6 octahedra,  a cornercorner with one Li(16)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(9)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(10)O6 octahedra,  an edgeedge with one Li(12)O6 octahedra,  an edgeedge with one Li(13)O6 octahedra,  an edgeedge with one Li(15)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra, edges with two equivalent Li(8)O6 octahedra, and edges with two equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-8°. In the fourth Cr site, Cr(4) is bonded to one O(10), one O(11), one O(20), one O(23), one O(6), and one O(8) atom to form CrO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(12)O6 octahedra,  a cornercorner with one Li(14)O6 octahedra,  a cornercorner with one Li(16)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(9)O6 octahedra,  an edgeedge with one Li(10)O6 octahedra,  an edgeedge with one Li(12)O6 octahedra,  an edgeedge with one Li(13)O6 octahedra,  an edgeedge with one Li(15)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Ti(3)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, and edges with two equivalent Ti(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-8°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded to one Li(15), one Li(3), one Li(7), one Li(9), one Ti(1), and one Cr(3) atom to form a mixture of corner and edge-sharing OLi4TiCr octahedra. The corner-sharing octahedral tilt angles range from 2-7°. In the second O site, O(2) is bonded to one Li(10), one Li(16), one Li(4), one Li(8), one Ti(2), and one Cr(1) atom to form a mixture of corner and edge-sharing OLi4TiCr octahedra. The corner-sharing octahedral tilt angles range from 2-7°. In the third O site, O(3) is bonded to one Li(1), one Li(12), one Li(13), one Li(8), one Ti(1), and one Cr(3) atom to form a mixture of corner and edge-sharing OLi4TiCr octahedra. The corner-sharing octahedral tilt angles range from 2-7°. In the fourth O site, O(4) is bonded to one Li(11), one Li(14), one Li(2), one Li(7), one Ti(2), and one Cr(1) atom to form a mixture of corner and edge-sharing OLi4TiCr octahedra. The corner-sharing octahedral tilt angles range from 2-7°. In the fifth O site, O(5) is bonded to one Li(1), one Li(11), one Li(14), one Li(6), one Ti(3), and one Cr(2) atom to form a mixture of corner and edge-sharing OLi4TiCr octahedra. The corner-sharing octahedral tilt angles range from 1-8°. In the sixth O site, O(6) is bonded to one Li(12), one Li(13), one Li(2), one Li(5), one Ti(4), and one Cr(4) atom to form a mixture of corner and edge-sharing OLi4TiCr octahedra. The corner-sharing octahedral tilt angles range from 2-7°. In the seventh O site, O(7) is bonded to one Li(15), one Li(4), one Li(5), one Li(9), one Ti(3), and one Cr(2) atom to form a mixture of corner and edge-sharing OLi4TiCr octahedra. The corner-sharing octahedral tilt angles range from 2-8°. In the eighth O site, O(8) is bonded to one Li(10), one Li(16), one Li(3), one Li(6), one Ti(4), and one Cr(4) atom to form a mixture of corner and edge-sharing OLi4TiCr octahedra. The corner-sharing octahedral tilt angles range from 1-7°. In the ninth O site, O(9) is bonded to one Li(1), one Li(11), one Li(13), one Li(5), one Ti(3), and one Cr(2) atom to form a mixture of corner and edge-sharing OLi4TiCr octahedra. The corner-sharing octahedral tilt angles range from 1-7°. In the tenth O site, O(10) is bonded to one Li(12), one Li(14), one Li(2), one Li(6), one Ti(4), and one Cr(4) atom to form a mixture of corner and edge-sharing OLi4TiCr octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the eleventh O site, O(11) is bonded to one Li(15), one Li(3), one Li(5), one Li(9), one Ti(3), and one Cr(4) atom to form a mixture of corner and edge-sharing OLi4TiCr octahedra. The corner-sharing octahedral tilt angles range from 1-9°. In the twelfth O site, O(12) is bonded to one Li(10), one Li(16), one Li(4), one Li(6), one Ti(4), and one Cr(2) atom to form a mixture of corner and edge-sharing OLi4TiCr octahedra. The corner-sharing octahedral tilt angles range from 0-9°. In the thirteenth O site, O(13) is bonded to one Li(15), one Li(4), one Li(7), one Li(9), one Ti(1), and one Cr(1) atom to form a mixture of corner and edge-sharing OLi4TiCr octahedra. The corner-sharing octahedral tilt angles range from 1-8°. In the fourteenth O site, O(14) is bonded to one Li(10), one Li(16), one Li(3), one Li(8), one Ti(2), and one Cr(3) atom to form a mixture of corner and edge-sharing OLi4TiCr octahedra. The corner-sharing octahedral tilt angles range from 1-7°. In the fifteenth O site, O(15) is bonded to one Li(1), one Li(11), one Li(13), one Li(7), one Ti(1), and one Cr(3) atom to form a mixture of corner and edge-sharing OLi4TiCr octahedra. The corner-sharing octahedral tilt angles range from 0-8°. In the sixteenth O site, O(16) is bonded to one Li(12), one Li(14), one Li(2), one Li(8), one Ti(2), and one Cr(1) atom to form a mixture of corner and edge-sharing OLi4TiCr octahedra. The corner-sharing octahedral tilt angles range from 0-9°. In the seventeenth O site, O(17) is bonded to one Li(1), one Li(11), one Li(14), one Li(7), one Ti(1), and one Cr(1) atom to form a mixture of corner and edge-sharing OLi4TiCr octahedra. The corner-sharing octahedral tilt angles range from 1-7°. In the eighteenth O site, O(18) is bonded to one Li(12), one Li(13), one Li(2), one Li(8), one Ti(2), and one Cr(3) atom to form a mixture of corner and edge-sharing OLi4TiCr octahedra. The corner-sharing octahedral tilt angles range from 1-7°. In the nineteenth O site, O(19) is bonded to one Li(16), one Li(4), one Li(6), one Li(9), one Ti(3), and one Cr(2) atom to form a mixture of corner and edge-sharing OLi4TiCr octahedra. The corner-sharing octahedral tilt angles range from 1-7°. In the twentieth O site, O(20) is bonded to one Li(10), one Li(15), one Li(3), one Li(5), one Ti(4), and one Cr(4) atom to form a mixture of corner and edge-sharing OLi4TiCr octahedra. The corner-sharing octahedral tilt angles range from 1-8°. In the twenty-first O site, O(21) is bonded to one Li(10), one Li(15), one Li(3), one Li(8), one Ti(1), and one Cr(3) atom to form a mixture of corner and edge-sharing OLi4TiCr octahedra. The corner-sharing octahedral tilt angles range from 0-9°. In the twenty-second O site, O(22) is bonded to one Li(16), one Li(4), one Li(7), one Li(9), one Ti(2), and one Cr(1) atom to form a mixture of corner and edge-sharing OLi4TiCr octahedra. The corner-sharing octahedral tilt angles range from 0-9°. In the twenty-third O site, O(23) is bonded to one Li(1), one Li(12), one Li(13), one Li(5), one Ti(3), and one Cr(4) atom to form a mixture of corner and edge-sharing OLi4TiCr octahedra. The corner-sharing octahedral tilt angles range from 1-9°. In the twenty-fourth O site, O(24) is bonded to one Li(11), one Li(14), one Li(2), one Li(6), one Ti(4), and one Cr(2) atom to form a mixture of corner and edge-sharing OLi4TiCr octahedra. The corner-sharing octahedral tilt angles range from 0-8°. is represented by the CIF card [CIF]
data_Li4TiCrO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.059
_cell_length_b   5.069
_cell_length_c   9.811
_cell_angle_alpha   85.127
_cell_angle_beta   80.222
_cell_angle_gamma   60.079
_symmetry_Int_Tables_number   1
_cell_volume   214.893
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Cr  Cr0  1  0.087  0.832  0.750  1.0
  Cr  Cr1  1  0.918  0.169  0.250  1.0
  Li  Li2  1  0.997  0.500  1.000  1.0
  Li  Li3  1  0.497  0.500  0.500  1.0
  Li  Li4  1  0.251  0.502  0.250  1.0
  Li  Li5  1  0.754  0.498  0.750  1.0
  Li  Li6  1  0.152  0.178  0.501  1.0
  Li  Li7  1  0.329  0.823  0.001  1.0
  Li  Li8  1  0.674  0.178  0.999  1.0
  Li  Li9  1  0.853  0.821  0.499  1.0
  O  O10  1  0.146  0.495  0.633  1.0
  O  O11  1  0.348  0.510  0.864  1.0
  O  O12  1  0.641  0.505  0.134  1.0
  O  O13  1  0.858  0.490  0.364  1.0
  O  O14  1  0.276  0.148  0.138  1.0
  O  O15  1  0.575  0.143  0.362  1.0
  O  O16  1  0.424  0.852  0.638  1.0
  O  O17  1  0.718  0.856  0.862  1.0
  O  O18  1  0.069  0.147  0.864  1.0
  O  O19  1  0.215  0.853  0.365  1.0
  O  O20  1  0.793  0.139  0.639  1.0
  O  O21  1  0.931  0.861  0.138  1.0
  Ti  Ti22  1  0.413  0.167  0.750  1.0
  Ti  Ti23  1  0.580  0.834  0.250  1.0
[/CIF]
.
The crystal structure described by Li4TiCrO6 is Caswellsilverite-derived structured and crystallizes in the triclinic P1 space group. There are sixteen inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(15), one O(17), one O(23), one O(3), one O(5), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one Li(6)O6 octahedra,  a cornercorner with one Li(8)O6 octahedra,  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(3)O6 octahedra,  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(4)O6 octahedra,  an edgeedge with one Li(12)O6 octahedra,  an edgeedge with one Li(14)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(3)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra,  an edgeedge with one Cr(3)O6 octahedra, edges with two equivalent Li(11)O6 octahedra, and edges with two equivalent Li(13)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-9°. In the second Li site, Li(2) is bonded to one O(10), one O(16), one O(18), one O(24), one O(4), and one O(6) atom to form LiO6 octahedra that share  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one Li(7)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Ti(4)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Cr(3)O6 octahedra,  an edgeedge with one Li(11)O6 octahedra,  an edgeedge with one Li(13)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Ti(4)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra,  an edgeedge with one Cr(4)O6 octahedra, edges with two equivalent Li(12)O6 octahedra, and edges with two equivalent Li(14)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-9°. In the third Li site, Li(3) is bonded to one O(1), one O(11), one O(14), one O(20), one O(21), and one O(8) atom to form LiO6 octahedra that share  a cornercorner with one Li(6)O6 octahedra,  a cornercorner with one Li(7)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Ti(3)O6 octahedra,  a cornercorner with one Cr(3)O6 octahedra,  a cornercorner with one Cr(4)O6 octahedra,  an edgeedge with one Li(16)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Li(9)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(4)O6 octahedra,  an edgeedge with one Cr(3)O6 octahedra,  an edgeedge with one Cr(4)O6 octahedra, edges with two equivalent Li(10)O6 octahedra, and edges with two equivalent Li(15)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-9°. In the fourth Li site, Li(4) is bonded to one O(12), one O(13), one O(19), one O(2), one O(22), and one O(7) atom to form LiO6 octahedra that share  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one Li(8)O6 octahedra,  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(4)O6 octahedra,  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  an edgeedge with one Li(10)O6 octahedra,  an edgeedge with one Li(15)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Ti(3)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra, edges with two equivalent Li(16)O6 octahedra, and edges with two equivalent Li(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-9°. In the fifth Li site, Li(5) is bonded to one O(11), one O(20), one O(23), one O(6), one O(7), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one Li(10)O6 octahedra,  a cornercorner with one Li(11)O6 octahedra,  a cornercorner with one Li(13)O6 octahedra,  a cornercorner with one Li(15)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(12)O6 octahedra,  an edgeedge with one Li(13)O6 octahedra,  an edgeedge with one Li(15)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(9)O6 octahedra,  an edgeedge with one Ti(4)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra, edges with two equivalent Ti(3)O6 octahedra, and edges with two equivalent Cr(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-10°. In the sixth Li site, Li(6) is bonded to one O(10), one O(12), one O(19), one O(24), one O(5), and one O(8) atom to form LiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(12)O6 octahedra,  a cornercorner with one Li(14)O6 octahedra,  a cornercorner with one Li(16)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(9)O6 octahedra,  an edgeedge with one Li(10)O6 octahedra,  an edgeedge with one Li(11)O6 octahedra,  an edgeedge with one Li(14)O6 octahedra,  an edgeedge with one Li(16)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Ti(3)O6 octahedra,  an edgeedge with one Cr(4)O6 octahedra, edges with two equivalent Ti(4)O6 octahedra, and edges with two equivalent Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-10°. In the seventh Li site, Li(7) is bonded to one O(1), one O(13), one O(15), one O(17), one O(22), and one O(4) atom to form LiO6 octahedra that share  a cornercorner with one Li(11)O6 octahedra,  a cornercorner with one Li(13)O6 octahedra,  a cornercorner with one Li(16)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(9)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(11)O6 octahedra,  an edgeedge with one Li(14)O6 octahedra,  an edgeedge with one Li(15)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(9)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Cr(3)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, and edges with two equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-10°. In the eighth Li site, Li(8) is bonded to one O(14), one O(16), one O(18), one O(2), one O(21), and one O(3) atom to form LiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(10)O6 octahedra,  a cornercorner with one Li(12)O6 octahedra,  a cornercorner with one Li(14)O6 octahedra,  a cornercorner with one Li(15)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  an edgeedge with one Li(10)O6 octahedra,  an edgeedge with one Li(12)O6 octahedra,  an edgeedge with one Li(13)O6 octahedra,  an edgeedge with one Li(16)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, and edges with two equivalent Cr(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-10°. In the ninth Li site, Li(9) is bonded to one O(1), one O(11), one O(13), one O(19), one O(22), and one O(7) atom to form LiO6 octahedra that share  a cornercorner with one Li(6)O6 octahedra,  a cornercorner with one Li(7)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Ti(3)O6 octahedra,  a cornercorner with one Cr(3)O6 octahedra,  a cornercorner with one Cr(4)O6 octahedra,  an edgeedge with one Li(16)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(3)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra, edges with two equivalent Li(15)O6 octahedra, and edges with two equivalent Li(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-10°. In the tenth Li site, Li(10) is bonded to one O(12), one O(14), one O(2), one O(20), one O(21), and one O(8) atom to form LiO6 octahedra that share  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one Li(8)O6 octahedra,  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(4)O6 octahedra,  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  an edgeedge with one Li(15)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Ti(4)O6 octahedra,  an edgeedge with one Cr(3)O6 octahedra,  an edgeedge with one Cr(4)O6 octahedra, edges with two equivalent Li(16)O6 octahedra, and edges with two equivalent Li(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-10°. In the eleventh Li site, Li(11) is bonded to one O(15), one O(17), one O(24), one O(4), one O(5), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one Li(7)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Ti(4)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Cr(3)O6 octahedra,  an edgeedge with one Li(13)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(3)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, and edges with two equivalent Li(14)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-10°. In the twelfth Li site, Li(12) is bonded to one O(10), one O(16), one O(18), one O(23), one O(3), and one O(6) atom to form LiO6 octahedra that share  a cornercorner with one Li(6)O6 octahedra,  a cornercorner with one Li(8)O6 octahedra,  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(3)O6 octahedra,  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(4)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(14)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Ti(4)O6 octahedra,  an edgeedge with one Cr(3)O6 octahedra,  an edgeedge with one Cr(4)O6 octahedra, edges with two equivalent Li(13)O6 octahedra, and edges with two equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-9°. In the thirteenth Li site, Li(13) is bonded to one O(15), one O(18), one O(23), one O(3), one O(6), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one Li(7)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Ti(4)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Cr(3)O6 octahedra,  an edgeedge with one Li(11)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(3)O6 octahedra,  an edgeedge with one Cr(3)O6 octahedra,  an edgeedge with one Cr(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, and edges with two equivalent Li(12)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-10°. In the fourteenth Li site, Li(14) is bonded to one O(10), one O(16), one O(17), one O(24), one O(4), and one O(5) atom to form LiO6 octahedra that share  a cornercorner with one Li(6)O6 octahedra,  a cornercorner with one Li(8)O6 octahedra,  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(3)O6 octahedra,  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(4)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(12)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Ti(4)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra, edges with two equivalent Li(11)O6 octahedra, and edges with two equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-10°. In the fifteenth Li site, Li(15) is bonded to one O(1), one O(11), one O(13), one O(20), one O(21), and one O(7) atom to form LiO6 octahedra that share  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one Li(8)O6 octahedra,  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(4)O6 octahedra,  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  an edgeedge with one Li(10)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(3)O6 octahedra,  an edgeedge with one Cr(3)O6 octahedra,  an edgeedge with one Cr(4)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, and edges with two equivalent Li(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-10°. In the sixteenth Li site, Li(16) is bonded to one O(12), one O(14), one O(19), one O(2), one O(22), and one O(8) atom to form LiO6 octahedra that share  a cornercorner with one Li(6)O6 octahedra,  a cornercorner with one Li(7)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Ti(3)O6 octahedra,  a cornercorner with one Cr(3)O6 octahedra,  a cornercorner with one Cr(4)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Li(9)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Ti(4)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra, edges with two equivalent Li(10)O6 octahedra, and edges with two equivalent Li(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-10°. There are four inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(13), one O(15), one O(17), one O(21), and one O(3) atom to form TiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(10)O6 octahedra,  a cornercorner with one Li(12)O6 octahedra,  a cornercorner with one Li(14)O6 octahedra,  a cornercorner with one Li(15)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(11)O6 octahedra,  an edgeedge with one Li(13)O6 octahedra,  an edgeedge with one Li(15)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Li(9)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra, edges with two equivalent Li(7)O6 octahedra, and edges with two equivalent Cr(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-10°. In the second Ti site, Ti(2) is bonded to one O(14), one O(16), one O(18), one O(2), one O(22), and one O(4) atom to form TiO6 octahedra that share  a cornercorner with one Li(11)O6 octahedra,  a cornercorner with one Li(13)O6 octahedra,  a cornercorner with one Li(16)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(9)O6 octahedra,  an edgeedge with one Li(10)O6 octahedra,  an edgeedge with one Li(12)O6 octahedra,  an edgeedge with one Li(14)O6 octahedra,  an edgeedge with one Li(16)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Cr(3)O6 octahedra, edges with two equivalent Li(8)O6 octahedra, and edges with two equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-10°. In the third Ti site, Ti(3) is bonded to one O(11), one O(19), one O(23), one O(5), one O(7), and one O(9) atom to form TiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(12)O6 octahedra,  a cornercorner with one Li(14)O6 octahedra,  a cornercorner with one Li(16)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(9)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(11)O6 octahedra,  an edgeedge with one Li(13)O6 octahedra,  an edgeedge with one Li(15)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Li(9)O6 octahedra,  an edgeedge with one Cr(4)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, and edges with two equivalent Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-9°. In the fourth Ti site, Ti(4) is bonded to one O(10), one O(12), one O(20), one O(24), one O(6), and one O(8) atom to form TiO6 octahedra that share  a cornercorner with one Li(10)O6 octahedra,  a cornercorner with one Li(11)O6 octahedra,  a cornercorner with one Li(13)O6 octahedra,  a cornercorner with one Li(15)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  an edgeedge with one Li(10)O6 octahedra,  an edgeedge with one Li(12)O6 octahedra,  an edgeedge with one Li(14)O6 octahedra,  an edgeedge with one Li(16)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, and edges with two equivalent Cr(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-10°. There are four inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(13), one O(16), one O(17), one O(2), one O(22), and one O(4) atom to form CrO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(10)O6 octahedra,  a cornercorner with one Li(12)O6 octahedra,  a cornercorner with one Li(14)O6 octahedra,  a cornercorner with one Li(15)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  an edgeedge with one Li(11)O6 octahedra,  an edgeedge with one Li(14)O6 octahedra,  an edgeedge with one Li(16)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Li(9)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra, edges with two equivalent Li(7)O6 octahedra, and edges with two equivalent Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-8°. In the second Cr site, Cr(2) is bonded to one O(12), one O(19), one O(24), one O(5), one O(7), and one O(9) atom to form CrO6 octahedra that share  a cornercorner with one Li(10)O6 octahedra,  a cornercorner with one Li(11)O6 octahedra,  a cornercorner with one Li(13)O6 octahedra,  a cornercorner with one Li(15)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(11)O6 octahedra,  an edgeedge with one Li(14)O6 octahedra,  an edgeedge with one Li(16)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(9)O6 octahedra,  an edgeedge with one Ti(4)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, and edges with two equivalent Ti(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-8°. In the third Cr site, Cr(3) is bonded to one O(1), one O(14), one O(15), one O(18), one O(21), and one O(3) atom to form CrO6 octahedra that share  a cornercorner with one Li(11)O6 octahedra,  a cornercorner with one Li(13)O6 octahedra,  a cornercorner with one Li(16)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(9)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(10)O6 octahedra,  an edgeedge with one Li(12)O6 octahedra,  an edgeedge with one Li(13)O6 octahedra,  an edgeedge with one Li(15)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra, edges with two equivalent Li(8)O6 octahedra, and edges with two equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-8°. In the fourth Cr site, Cr(4) is bonded to one O(10), one O(11), one O(20), one O(23), one O(6), and one O(8) atom to form CrO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(12)O6 octahedra,  a cornercorner with one Li(14)O6 octahedra,  a cornercorner with one Li(16)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(9)O6 octahedra,  an edgeedge with one Li(10)O6 octahedra,  an edgeedge with one Li(12)O6 octahedra,  an edgeedge with one Li(13)O6 octahedra,  an edgeedge with one Li(15)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Ti(3)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, and edges with two equivalent Ti(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-8°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded to one Li(15), one Li(3), one Li(7), one Li(9), one Ti(1), and one Cr(3) atom to form a mixture of corner and edge-sharing OLi4TiCr octahedra. The corner-sharing octahedral tilt angles range from 2-7°. In the second O site, O(2) is bonded to one Li(10), one Li(16), one Li(4), one Li(8), one Ti(2), and one Cr(1) atom to form a mixture of corner and edge-sharing OLi4TiCr octahedra. The corner-sharing octahedral tilt angles range from 2-7°. In the third O site, O(3) is bonded to one Li(1), one Li(12), one Li(13), one Li(8), one Ti(1), and one Cr(3) atom to form a mixture of corner and edge-sharing OLi4TiCr octahedra. The corner-sharing octahedral tilt angles range from 2-7°. In the fourth O site, O(4) is bonded to one Li(11), one Li(14), one Li(2), one Li(7), one Ti(2), and one Cr(1) atom to form a mixture of corner and edge-sharing OLi4TiCr octahedra. The corner-sharing octahedral tilt angles range from 2-7°. In the fifth O site, O(5) is bonded to one Li(1), one Li(11), one Li(14), one Li(6), one Ti(3), and one Cr(2) atom to form a mixture of corner and edge-sharing OLi4TiCr octahedra. The corner-sharing octahedral tilt angles range from 1-8°. In the sixth O site, O(6) is bonded to one Li(12), one Li(13), one Li(2), one Li(5), one Ti(4), and one Cr(4) atom to form a mixture of corner and edge-sharing OLi4TiCr octahedra. The corner-sharing octahedral tilt angles range from 2-7°. In the seventh O site, O(7) is bonded to one Li(15), one Li(4), one Li(5), one Li(9), one Ti(3), and one Cr(2) atom to form a mixture of corner and edge-sharing OLi4TiCr octahedra. The corner-sharing octahedral tilt angles range from 2-8°. In the eighth O site, O(8) is bonded to one Li(10), one Li(16), one Li(3), one Li(6), one Ti(4), and one Cr(4) atom to form a mixture of corner and edge-sharing OLi4TiCr octahedra. The corner-sharing octahedral tilt angles range from 1-7°. In the ninth O site, O(9) is bonded to one Li(1), one Li(11), one Li(13), one Li(5), one Ti(3), and one Cr(2) atom to form a mixture of corner and edge-sharing OLi4TiCr octahedra. The corner-sharing octahedral tilt angles range from 1-7°. In the tenth O site, O(10) is bonded to one Li(12), one Li(14), one Li(2), one Li(6), one Ti(4), and one Cr(4) atom to form a mixture of corner and edge-sharing OLi4TiCr octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the eleventh O site, O(11) is bonded to one Li(15), one Li(3), one Li(5), one Li(9), one Ti(3), and one Cr(4) atom to form a mixture of corner and edge-sharing OLi4TiCr octahedra. The corner-sharing octahedral tilt angles range from 1-9°. In the twelfth O site, O(12) is bonded to one Li(10), one Li(16), one Li(4), one Li(6), one Ti(4), and one Cr(2) atom to form a mixture of corner and edge-sharing OLi4TiCr octahedra. The corner-sharing octahedral tilt angles range from 0-9°. In the thirteenth O site, O(13) is bonded to one Li(15), one Li(4), one Li(7), one Li(9), one Ti(1), and one Cr(1) atom to form a mixture of corner and edge-sharing OLi4TiCr octahedra. The corner-sharing octahedral tilt angles range from 1-8°. In the fourteenth O site, O(14) is bonded to one Li(10), one Li(16), one Li(3), one Li(8), one Ti(2), and one Cr(3) atom to form a mixture of corner and edge-sharing OLi4TiCr octahedra. The corner-sharing octahedral tilt angles range from 1-7°. In the fifteenth O site, O(15) is bonded to one Li(1), one Li(11), one Li(13), one Li(7), one Ti(1), and one Cr(3) atom to form a mixture of corner and edge-sharing OLi4TiCr octahedra. The corner-sharing octahedral tilt angles range from 0-8°. In the sixteenth O site, O(16) is bonded to one Li(12), one Li(14), one Li(2), one Li(8), one Ti(2), and one Cr(1) atom to form a mixture of corner and edge-sharing OLi4TiCr octahedra. The corner-sharing octahedral tilt angles range from 0-9°. In the seventeenth O site, O(17) is bonded to one Li(1), one Li(11), one Li(14), one Li(7), one Ti(1), and one Cr(1) atom to form a mixture of corner and edge-sharing OLi4TiCr octahedra. The corner-sharing octahedral tilt angles range from 1-7°. In the eighteenth O site, O(18) is bonded to one Li(12), one Li(13), one Li(2), one Li(8), one Ti(2), and one Cr(3) atom to form a mixture of corner and edge-sharing OLi4TiCr octahedra. The corner-sharing octahedral tilt angles range from 1-7°. In the nineteenth O site, O(19) is bonded to one Li(16), one Li(4), one Li(6), one Li(9), one Ti(3), and one Cr(2) atom to form a mixture of corner and edge-sharing OLi4TiCr octahedra. The corner-sharing octahedral tilt angles range from 1-7°. In the twentieth O site, O(20) is bonded to one Li(10), one Li(15), one Li(3), one Li(5), one Ti(4), and one Cr(4) atom to form a mixture of corner and edge-sharing OLi4TiCr octahedra. The corner-sharing octahedral tilt angles range from 1-8°. In the twenty-first O site, O(21) is bonded to one Li(10), one Li(15), one Li(3), one Li(8), one Ti(1), and one Cr(3) atom to form a mixture of corner and edge-sharing OLi4TiCr octahedra. The corner-sharing octahedral tilt angles range from 0-9°. In the twenty-second O site, O(22) is bonded to one Li(16), one Li(4), one Li(7), one Li(9), one Ti(2), and one Cr(1) atom to form a mixture of corner and edge-sharing OLi4TiCr octahedra. The corner-sharing octahedral tilt angles range from 0-9°. In the twenty-third O site, O(23) is bonded to one Li(1), one Li(12), one Li(13), one Li(5), one Ti(3), and one Cr(4) atom to form a mixture of corner and edge-sharing OLi4TiCr octahedra. The corner-sharing octahedral tilt angles range from 1-9°. In the twenty-fourth O site, O(24) is bonded to one Li(11), one Li(14), one Li(2), one Li(6), one Ti(4), and one Cr(2) atom to form a mixture of corner and edge-sharing OLi4TiCr octahedra. The corner-sharing octahedral tilt angles range from 0-8°. is represented by the CIF card [CIF]
data_Li4TiCrO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.059
_cell_length_b   5.069
_cell_length_c   9.811
_cell_angle_alpha   85.127
_cell_angle_beta   80.222
_cell_angle_gamma   60.079
_symmetry_Int_Tables_number   1
_cell_volume   214.893
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Cr  Cr0  1  0.087  0.832  0.750  1.0
  Cr  Cr1  1  0.918  0.169  0.250  1.0
  Li  Li2  1  0.997  0.500  1.000  1.0
  Li  Li3  1  0.497  0.500  0.500  1.0
  Li  Li4  1  0.251  0.502  0.250  1.0
  Li  Li5  1  0.754  0.498  0.750  1.0
  Li  Li6  1  0.152  0.178  0.501  1.0
  Li  Li7  1  0.329  0.823  0.001  1.0
  Li  Li8  1  0.674  0.178  0.999  1.0
  Li  Li9  1  0.853  0.821  0.499  1.0
  O  O10  1  0.146  0.495  0.633  1.0
  O  O11  1  0.348  0.510  0.864  1.0
  O  O12  1  0.641  0.505  0.134  1.0
  O  O13  1  0.858  0.490  0.364  1.0
  O  O14  1  0.276  0.148  0.138  1.0
  O  O15  1  0.575  0.143  0.362  1.0
  O  O16  1  0.424  0.852  0.638  1.0
  O  O17  1  0.718  0.856  0.862  1.0
  O  O18  1  0.069  0.147  0.864  1.0
  O  O19  1  0.215  0.853  0.365  1.0
  O  O20  1  0.793  0.139  0.639  1.0
  O  O21  1  0.931  0.861  0.138  1.0
  Ti  Ti22  1  0.413  0.167  0.750  1.0
  Ti  Ti23  1  0.580  0.834  0.250  1.0
[/CIF]
.