The compound described by Li2TiCrO4 is Caswellsilverite-derived structured and crystallizes in the monoclinic Cm space group. There are eight inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(11), one O(12), one O(3), one O(6), and two equivalent O(14) atoms to form LiO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Ti(3)O6 octahedra, corners with two equivalent Li(1)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra,  an edgeedge with one Cr(4)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, edges with two equivalent Ti(4)O6 octahedra, and edges with two equivalent Cr(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. In the second Li site, Li(2) is bonded to one O(12), one O(4), one O(7), one O(9), and two equivalent O(15) atoms to form LiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Ti(3)O6 octahedra,  a cornercorner with one Ti(4)O6 octahedra, corners with two equivalent Li(2)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra, edges with two equivalent Li(7)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, and edges with two equivalent Cr(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-7°. In the third Li site, Li(3) is bonded to one O(1), one O(10), one O(8), one O(9), and two equivalent O(16) atoms to form LiO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(4)O6 octahedra, corners with two equivalent Li(3)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra,  an edgeedge with one Cr(3)O6 octahedra, edges with two equivalent Li(8)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, edges with two equivalent Ti(3)O6 octahedra, and edges with two equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-7°. In the fourth Li site, Li(4) is bonded to one O(10), one O(11), one O(2), one O(5), and two equivalent O(13) atoms to form LiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra, corners with two equivalent Li(4)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Cr(3)O6 octahedra,  an edgeedge with one Cr(4)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Ti(3)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 1-6°. In the fifth Li site, Li(5) is bonded to one O(12), one O(13), one O(3), one O(4), and two equivalent O(5) atoms 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 Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra, corners with two equivalent Li(5)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Ti(3)O6 octahedra,  an edgeedge with one Ti(4)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, edges with two equivalent Cr(3)O6 octahedra, and edges with two equivalent Cr(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-12°. In the sixth Li site, Li(6) is bonded to one O(1), one O(14), one O(4), one O(9), and two equivalent O(6) atoms 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 Cr(2)O6 octahedra,  a cornercorner with one Cr(3)O6 octahedra, corners with two equivalent Li(6)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 Ti(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, and edges with two equivalent Cr(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-11°. In the seventh Li site, Li(7) is bonded to one O(1), one O(10), one O(15), one O(2), and two equivalent O(7) atoms 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 Cr(3)O6 octahedra,  a cornercorner with one Cr(4)O6 octahedra, corners with two equivalent Li(7)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Ti(3)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, and edges with two equivalent Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-11°. In the eighth Li site, Li(8) is bonded to one O(11), one O(16), one O(2), one O(3), and two equivalent O(8) atoms 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 Cr(1)O6 octahedra,  a cornercorner with one Cr(4)O6 octahedra, corners with two equivalent Li(8)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Ti(3)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Ti(4)O6 octahedra, edges with two equivalent Cr(2)O6 octahedra, and edges with two equivalent Cr(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-12°. There are four inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(14), one O(15), one O(5), and two equivalent O(12) atoms to form TiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Ti(4)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Li(7)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, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, and edges with two equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-6°. In the second Ti site, Ti(2) is bonded to one O(15), one O(16), one O(2), one O(6), and two equivalent O(9) atoms to form TiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(3)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra,  an edgeedge with one Cr(4)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, and edges with two equivalent Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-6°. In the third Ti site, Ti(3) is bonded to one O(13), one O(16), one O(3), one O(7), and two equivalent O(10) atoms to form TiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Ti(4)O6 octahedra, corners with two equivalent Ti(3)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)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 0-6°. In the fourth Ti site, Ti(4) is bonded to one O(13), one O(14), one O(4), one O(8), and two equivalent O(11) atoms to form TiO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(3)O6 octahedra, corners with two equivalent Ti(4)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra,  an edgeedge with one Cr(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(8)O6 octahedra, and edges with two equivalent Cr(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-6°. There are four inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(12), one O(16), one O(6), one O(7), and two equivalent O(1) atoms to form CrO6 octahedra that share  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one Li(8)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Cr(4)O6 octahedra, corners with two equivalent Cr(1)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Ti(3)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, edges with two equivalent Li(7)O6 octahedra, and edges with two equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-10°. In the second Cr site, Cr(2) is bonded to one O(13), one O(7), one O(8), one O(9), and two equivalent O(2) atoms to form CrO6 octahedra that share  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra,  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(3)O6 octahedra, corners with two equivalent Cr(2)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Ti(3)O6 octahedra,  an edgeedge with one Ti(4)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(7)O6 octahedra, edges with two equivalent Li(8)O6 octahedra, and edges with two equivalent Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-12°. In the third Cr site, Cr(3) is bonded to one O(10), one O(14), one O(5), one O(8), and two equivalent O(3) atoms to form CrO6 octahedra that share  a cornercorner with one Li(6)O6 octahedra,  a cornercorner with one Li(7)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Cr(4)O6 octahedra, corners with two equivalent Cr(3)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Li(8)O6 octahedra, and edges with two equivalent Ti(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-12°. In the fourth Cr site, Cr(4) is bonded to one O(11), one O(15), one O(5), one O(6), and two equivalent O(4) atoms to form CrO6 octahedra that share  a cornercorner with one Li(7)O6 octahedra,  a cornercorner with one Li(8)O6 octahedra,  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(3)O6 octahedra, corners with two equivalent Cr(4)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, and edges with two equivalent Ti(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-11°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded to one Li(3), one Li(6), one Li(7), one Ti(1), and two equivalent Cr(1) atoms to form OLi3TiCr2 octahedra that share  a cornercorner with one O(2)Li3TiCr2 octahedra,  a cornercorner with one O(4)Li3TiCr2 octahedra,  a cornercorner with one O(5)Li3TiCr2 octahedra,  a cornercorner with one O(8)Li3TiCr2 octahedra, corners with two equivalent O(1)Li3TiCr2 octahedra,  an edgeedge with one O(10)Li3Ti2Cr octahedra,  an edgeedge with one O(14)Li3Ti2Cr octahedra,  an edgeedge with one O(15)Li3Ti2Cr octahedra,  an edgeedge with one O(9)Li3Ti2Cr octahedra, edges with two equivalent O(12)Li3Ti2Cr octahedra, edges with two equivalent O(16)Li3Ti2Cr octahedra, edges with two equivalent O(6)Li3TiCr2 octahedra, and edges with two equivalent O(7)Li3TiCr2 octahedra. The corner-sharing octahedral tilt angles range from 2-11°. In the second O site, O(2) is bonded to one Li(4), one Li(7), one Li(8), one Ti(2), and two equivalent Cr(2) atoms to form OLi3TiCr2 octahedra that share  a cornercorner with one O(1)Li3TiCr2 octahedra,  a cornercorner with one O(3)Li3TiCr2 octahedra,  a cornercorner with one O(5)Li3TiCr2 octahedra,  a cornercorner with one O(6)Li3TiCr2 octahedra, corners with two equivalent O(2)Li3TiCr2 octahedra,  an edgeedge with one O(10)Li3Ti2Cr octahedra,  an edgeedge with one O(11)Li3Ti2Cr octahedra,  an edgeedge with one O(15)Li3Ti2Cr octahedra,  an edgeedge with one O(16)Li3Ti2Cr octahedra, edges with two equivalent O(13)Li3Ti2Cr octahedra, edges with two equivalent O(9)Li3Ti2Cr octahedra, edges with two equivalent O(7)Li3TiCr2 octahedra, and edges with two equivalent O(8)Li3TiCr2 octahedra. The corner-sharing octahedral tilt angles range from 0-11°. In the third O site, O(3) is bonded to one Li(1), one Li(5), one Li(8), one Ti(3), and two equivalent Cr(3) atoms to form OLi3TiCr2 octahedra that share  a cornercorner with one O(2)Li3TiCr2 octahedra,  a cornercorner with one O(4)Li3TiCr2 octahedra,  a cornercorner with one O(6)Li3TiCr2 octahedra,  a cornercorner with one O(7)Li3TiCr2 octahedra, corners with two equivalent O(3)Li3TiCr2 octahedra,  an edgeedge with one O(11)Li3Ti2Cr octahedra,  an edgeedge with one O(12)Li3Ti2Cr octahedra,  an edgeedge with one O(13)Li3Ti2Cr octahedra,  an edgeedge with one O(16)Li3Ti2Cr octahedra, edges with two equivalent O(10)Li3Ti2Cr octahedra, edges with two equivalent O(14)Li3Ti2Cr octahedra, edges with two equivalent O(5)Li3TiCr2 octahedra, and edges with two equivalent O(8)Li3TiCr2 octahedra. The corner-sharing octahedral tilt angles range from 0-11°. In the fourth O site, O(4) is bonded to one Li(2), one Li(5), one Li(6), one Ti(4), and two equivalent Cr(4) atoms to form OLi3TiCr2 octahedra that share  a cornercorner with one O(1)Li3TiCr2 octahedra,  a cornercorner with one O(3)Li3TiCr2 octahedra,  a cornercorner with one O(7)Li3TiCr2 octahedra,  a cornercorner with one O(8)Li3TiCr2 octahedra, corners with two equivalent O(4)Li3TiCr2 octahedra,  an edgeedge with one O(12)Li3Ti2Cr octahedra,  an edgeedge with one O(13)Li3Ti2Cr octahedra,  an edgeedge with one O(14)Li3Ti2Cr octahedra,  an edgeedge with one O(9)Li3Ti2Cr octahedra, edges with two equivalent O(11)Li3Ti2Cr octahedra, edges with two equivalent O(15)Li3Ti2Cr octahedra, edges with two equivalent O(5)Li3TiCr2 octahedra, and edges with two equivalent O(6)Li3TiCr2 octahedra. The corner-sharing octahedral tilt angles range from 0-11°. In the fifth O site, O(5) is bonded to one Li(4), two equivalent Li(5), one Ti(1), one Cr(3), and one Cr(4) atom to form OLi3TiCr2 octahedra that share  a cornercorner with one O(1)Li3TiCr2 octahedra,  a cornercorner with one O(2)Li3TiCr2 octahedra,  a cornercorner with one O(6)Li3TiCr2 octahedra,  a cornercorner with one O(8)Li3TiCr2 octahedra, corners with two equivalent O(5)Li3TiCr2 octahedra,  an edgeedge with one O(10)Li3Ti2Cr octahedra,  an edgeedge with one O(11)Li3Ti2Cr octahedra,  an edgeedge with one O(14)Li3Ti2Cr octahedra,  an edgeedge with one O(15)Li3Ti2Cr octahedra, edges with two equivalent O(12)Li3Ti2Cr octahedra, edges with two equivalent O(13)Li3Ti2Cr octahedra, edges with two equivalent O(3)Li3TiCr2 octahedra, and edges with two equivalent O(4)Li3TiCr2 octahedra. The corner-sharing octahedral tilt angles range from 2-12°. In the sixth O site, O(6) is bonded to one Li(1), two equivalent Li(6), one Ti(2), one Cr(1), and one Cr(4) atom to form OLi3TiCr2 octahedra that share  a cornercorner with one O(2)Li3TiCr2 octahedra,  a cornercorner with one O(3)Li3TiCr2 octahedra,  a cornercorner with one O(5)Li3TiCr2 octahedra,  a cornercorner with one O(7)Li3TiCr2 octahedra, corners with two equivalent O(6)Li3TiCr2 octahedra,  an edgeedge with one O(11)Li3Ti2Cr octahedra,  an edgeedge with one O(12)Li3Ti2Cr octahedra,  an edgeedge with one O(15)Li3Ti2Cr octahedra,  an edgeedge with one O(16)Li3Ti2Cr octahedra, edges with two equivalent O(14)Li3Ti2Cr octahedra, edges with two equivalent O(9)Li3Ti2Cr octahedra, edges with two equivalent O(1)Li3TiCr2 octahedra, and edges with two equivalent O(4)Li3TiCr2 octahedra. The corner-sharing octahedral tilt angles range from 0-11°. In the seventh O site, O(7) is bonded to one Li(2), two equivalent Li(7), one Ti(3), one Cr(1), and one Cr(2) atom to form OLi3TiCr2 octahedra that share  a cornercorner with one O(3)Li3TiCr2 octahedra,  a cornercorner with one O(4)Li3TiCr2 octahedra,  a cornercorner with one O(6)Li3TiCr2 octahedra,  a cornercorner with one O(8)Li3TiCr2 octahedra, corners with two equivalent O(7)Li3TiCr2 octahedra,  an edgeedge with one O(12)Li3Ti2Cr octahedra,  an edgeedge with one O(13)Li3Ti2Cr octahedra,  an edgeedge with one O(16)Li3Ti2Cr octahedra,  an edgeedge with one O(9)Li3Ti2Cr octahedra, edges with two equivalent O(10)Li3Ti2Cr octahedra, edges with two equivalent O(15)Li3Ti2Cr octahedra, edges with two equivalent O(1)Li3TiCr2 octahedra, and edges with two equivalent O(2)Li3TiCr2 octahedra. The corner-sharing octahedral tilt angles range from 0-11°. In the eighth O site, O(8) is bonded to one Li(3), two equivalent Li(8), one Ti(4), one Cr(2), and one Cr(3) atom to form OLi3TiCr2 octahedra that share  a cornercorner with one O(1)Li3TiCr2 octahedra,  a cornercorner with one O(4)Li3TiCr2 octahedra,  a cornercorner with one O(5)Li3TiCr2 octahedra,  a cornercorner with one O(7)Li3TiCr2 octahedra, corners with two equivalent O(8)Li3TiCr2 octahedra,  an edgeedge with one O(10)Li3Ti2Cr octahedra,  an edgeedge with one O(13)Li3Ti2Cr octahedra,  an edgeedge with one O(14)Li3Ti2Cr octahedra,  an edgeedge with one O(9)Li3Ti2Cr octahedra, edges with two equivalent O(11)Li3Ti2Cr octahedra, edges with two equivalent O(16)Li3Ti2Cr octahedra, edges with two equivalent O(2)Li3TiCr2 octahedra, and edges with two equivalent O(3)Li3TiCr2 octahedra. The corner-sharing octahedral tilt angles range from 2-12°. In the ninth O site, O(9) is bonded to one Li(2), one Li(3), one Li(6), two equivalent Ti(2), and one Cr(2) atom to form OLi3Ti2Cr octahedra that share  a cornercorner with one O(10)Li3Ti2Cr octahedra,  a cornercorner with one O(12)Li3Ti2Cr octahedra,  a cornercorner with one O(13)Li3Ti2Cr octahedra,  a cornercorner with one O(14)Li3Ti2Cr octahedra, corners with two equivalent O(9)Li3Ti2Cr octahedra,  an edgeedge with one O(1)Li3TiCr2 octahedra,  an edgeedge with one O(4)Li3TiCr2 octahedra,  an edgeedge with one O(7)Li3TiCr2 octahedra,  an edgeedge with one O(8)Li3TiCr2 octahedra, edges with two equivalent O(15)Li3Ti2Cr octahedra, edges with two equivalent O(16)Li3Ti2Cr octahedra, edges with two equivalent O(2)Li3TiCr2 octahedra, and edges with two equivalent O(6)Li3TiCr2 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. In the tenth O site, O(10) is bonded to one Li(3), one Li(4), one Li(7), two equivalent Ti(3), and one Cr(3) atom to form OLi3Ti2Cr octahedra that share  a cornercorner with one O(11)Li3Ti2Cr octahedra,  a cornercorner with one O(14)Li3Ti2Cr octahedra,  a cornercorner with one O(15)Li3Ti2Cr octahedra,  a cornercorner with one O(9)Li3Ti2Cr octahedra, corners with two equivalent O(10)Li3Ti2Cr octahedra,  an edgeedge with one O(1)Li3TiCr2 octahedra,  an edgeedge with one O(2)Li3TiCr2 octahedra,  an edgeedge with one O(5)Li3TiCr2 octahedra,  an edgeedge with one O(8)Li3TiCr2 octahedra, edges with two equivalent O(13)Li3Ti2Cr octahedra, edges with two equivalent O(16)Li3Ti2Cr octahedra, edges with two equivalent O(3)Li3TiCr2 octahedra, and edges with two equivalent O(7)Li3TiCr2 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. In the eleventh O site, O(11) is bonded to one Li(1), one Li(4), one Li(8), two equivalent Ti(4), and one Cr(4) atom to form OLi3Ti2Cr octahedra that share  a cornercorner with one O(10)Li3Ti2Cr octahedra,  a cornercorner with one O(12)Li3Ti2Cr octahedra,  a cornercorner with one O(15)Li3Ti2Cr octahedra,  a cornercorner with one O(16)Li3Ti2Cr octahedra, corners with two equivalent O(11)Li3Ti2Cr octahedra,  an edgeedge with one O(2)Li3TiCr2 octahedra,  an edgeedge with one O(3)Li3TiCr2 octahedra,  an edgeedge with one O(5)Li3TiCr2 octahedra,  an edgeedge with one O(6)Li3TiCr2 octahedra, edges with two equivalent O(13)Li3Ti2Cr octahedra, edges with two equivalent O(14)Li3Ti2Cr octahedra, edges with two equivalent O(4)Li3TiCr2 octahedra, and edges with two equivalent O(8)Li3TiCr2 octahedra. The corner-sharing octahedral tilt angles range from 1-6°. In the twelfth O site, O(12) is bonded to one Li(1), one Li(2), one Li(5), two equivalent Ti(1), and one Cr(1) atom to form OLi3Ti2Cr octahedra that share  a cornercorner with one O(11)Li3Ti2Cr octahedra,  a cornercorner with one O(13)Li3Ti2Cr octahedra,  a cornercorner with one O(16)Li3Ti2Cr octahedra,  a cornercorner with one O(9)Li3Ti2Cr octahedra, corners with two equivalent O(12)Li3Ti2Cr octahedra,  an edgeedge with one O(3)Li3TiCr2 octahedra,  an edgeedge with one O(4)Li3TiCr2 octahedra,  an edgeedge with one O(6)Li3TiCr2 octahedra,  an edgeedge with one O(7)Li3TiCr2 octahedra, edges with two equivalent O(14)Li3Ti2Cr octahedra, edges with two equivalent O(15)Li3Ti2Cr octahedra, edges with two equivalent O(1)Li3TiCr2 octahedra, and edges with two equivalent O(5)Li3TiCr2 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. In the thirteenth O site, O(13) is bonded to one Li(5), two equivalent Li(4), one Ti(3), one Ti(4), and one Cr(2) atom to form OLi3Ti2Cr octahedra that share  a cornercorner with one O(12)Li3Ti2Cr octahedra,  a cornercorner with one O(14)Li3Ti2Cr octahedra,  a cornercorner with one O(16)Li3Ti2Cr octahedra,  a cornercorner with one O(9)Li3Ti2Cr octahedra, corners with two equivalent O(13)Li3Ti2Cr octahedra,  an edgeedge with one O(3)Li3TiCr2 octahedra,  an edgeedge with one O(4)Li3TiCr2 octahedra,  an edgeedge with one O(7)Li3TiCr2 octahedra,  an edgeedge with one O(8)Li3TiCr2 octahedra, edges with two equivalent O(10)Li3Ti2Cr octahedra, edges with two equivalent O(11)Li3Ti2Cr octahedra, edges with two equivalent O(2)Li3TiCr2 octahedra, and edges with two equivalent O(5)Li3TiCr2 octahedra. The corner-sharing octahedral tilt angles range from 1-6°. In the fourteenth O site, O(14) is bonded to one Li(6), two equivalent Li(1), one Ti(1), one Ti(4), and one Cr(3) atom to form OLi3Ti2Cr octahedra that share  a cornercorner with one O(10)Li3Ti2Cr octahedra,  a cornercorner with one O(13)Li3Ti2Cr octahedra,  a cornercorner with one O(15)Li3Ti2Cr octahedra,  a cornercorner with one O(9)Li3Ti2Cr octahedra, corners with two equivalent O(14)Li3Ti2Cr octahedra,  an edgeedge with one O(1)Li3TiCr2 octahedra,  an edgeedge with one O(4)Li3TiCr2 octahedra,  an edgeedge with one O(5)Li3TiCr2 octahedra,  an edgeedge with one O(8)Li3TiCr2 octahedra, edges with two equivalent O(11)Li3Ti2Cr octahedra, edges with two equivalent O(12)Li3Ti2Cr octahedra, edges with two equivalent O(3)Li3TiCr2 octahedra, and edges with two equivalent O(6)Li3TiCr2 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the fifteenth O site, O(15) is bonded to one Li(7), two equivalent Li(2), one Ti(1), one Ti(2), and one Cr(4) atom to form OLi3Ti2Cr octahedra that share  a cornercorner with one O(10)Li3Ti2Cr octahedra,  a cornercorner with one O(11)Li3Ti2Cr octahedra,  a cornercorner with one O(14)Li3Ti2Cr octahedra,  a cornercorner with one O(16)Li3Ti2Cr octahedra, corners with two equivalent O(15)Li3Ti2Cr octahedra,  an edgeedge with one O(1)Li3TiCr2 octahedra,  an edgeedge with one O(2)Li3TiCr2 octahedra,  an edgeedge with one O(5)Li3TiCr2 octahedra,  an edgeedge with one O(6)Li3TiCr2 octahedra, edges with two equivalent O(12)Li3Ti2Cr octahedra, edges with two equivalent O(9)Li3Ti2Cr octahedra, edges with two equivalent O(4)Li3TiCr2 octahedra, and edges with two equivalent O(7)Li3TiCr2 octahedra. The corner-sharing octahedral tilt angles range from 1-6°. In the sixteenth O site, O(16) is bonded to one Li(8), two equivalent Li(3), one Ti(2), one Ti(3), and one Cr(1) atom to form OLi3Ti2Cr octahedra that share  a cornercorner with one O(11)Li3Ti2Cr octahedra,  a cornercorner with one O(12)Li3Ti2Cr octahedra,  a cornercorner with one O(13)Li3Ti2Cr octahedra,  a cornercorner with one O(15)Li3Ti2Cr octahedra, corners with two equivalent O(16)Li3Ti2Cr octahedra,  an edgeedge with one O(2)Li3TiCr2 octahedra,  an edgeedge with one O(3)Li3TiCr2 octahedra,  an edgeedge with one O(6)Li3TiCr2 octahedra,  an edgeedge with one O(7)Li3TiCr2 octahedra, edges with two equivalent O(10)Li3Ti2Cr octahedra, edges with two equivalent O(9)Li3Ti2Cr octahedra, edges with two equivalent O(1)Li3TiCr2 octahedra, and edges with two equivalent O(8)Li3TiCr2 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2TiCrO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.161
_cell_length_b   4.163
_cell_length_c   5.222
_cell_angle_alpha   66.510
_cell_angle_beta   66.541
_cell_angle_gamma   89.998
_symmetry_Int_Tables_number   1
_cell_volume   74.744
_cell_formula_units_Z   1
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  1.000  1.000  0.000  1.0
  Li  Li1  1  0.248  0.748  0.503  1.0
  Li  Li2  1  0.501  0.501  0.999  1.0
  O  O3  1  0.978  0.478  0.044  1.0
  O  O4  1  0.523  0.023  0.954  1.0
  O  O5  1  0.760  0.760  0.480  1.0
  O  O6  1  0.240  0.240  0.521  1.0
  Ti  Ti7  1  0.750  0.250  0.500  1.0
[/CIF]
.
The compound described by Li2TiCrO4 is Caswellsilverite-derived structured and crystallizes in the monoclinic Cm space group. There are eight inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(11), one O(12), one O(3), one O(6), and two equivalent O(14) atoms to form LiO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Ti(3)O6 octahedra, corners with two equivalent Li(1)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra,  an edgeedge with one Cr(4)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, edges with two equivalent Ti(4)O6 octahedra, and edges with two equivalent Cr(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. In the second Li site, Li(2) is bonded to one O(12), one O(4), one O(7), one O(9), and two equivalent O(15) atoms to form LiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Ti(3)O6 octahedra,  a cornercorner with one Ti(4)O6 octahedra, corners with two equivalent Li(2)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra, edges with two equivalent Li(7)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, and edges with two equivalent Cr(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-7°. In the third Li site, Li(3) is bonded to one O(1), one O(10), one O(8), one O(9), and two equivalent O(16) atoms to form LiO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(4)O6 octahedra, corners with two equivalent Li(3)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra,  an edgeedge with one Cr(3)O6 octahedra, edges with two equivalent Li(8)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, edges with two equivalent Ti(3)O6 octahedra, and edges with two equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-7°. In the fourth Li site, Li(4) is bonded to one O(10), one O(11), one O(2), one O(5), and two equivalent O(13) atoms to form LiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra, corners with two equivalent Li(4)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Cr(3)O6 octahedra,  an edgeedge with one Cr(4)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Ti(3)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 1-6°. In the fifth Li site, Li(5) is bonded to one O(12), one O(13), one O(3), one O(4), and two equivalent O(5) atoms 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 Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra, corners with two equivalent Li(5)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Ti(3)O6 octahedra,  an edgeedge with one Ti(4)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, edges with two equivalent Cr(3)O6 octahedra, and edges with two equivalent Cr(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-12°. In the sixth Li site, Li(6) is bonded to one O(1), one O(14), one O(4), one O(9), and two equivalent O(6) atoms 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 Cr(2)O6 octahedra,  a cornercorner with one Cr(3)O6 octahedra, corners with two equivalent Li(6)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 Ti(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, and edges with two equivalent Cr(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-11°. In the seventh Li site, Li(7) is bonded to one O(1), one O(10), one O(15), one O(2), and two equivalent O(7) atoms 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 Cr(3)O6 octahedra,  a cornercorner with one Cr(4)O6 octahedra, corners with two equivalent Li(7)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Ti(3)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, and edges with two equivalent Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-11°. In the eighth Li site, Li(8) is bonded to one O(11), one O(16), one O(2), one O(3), and two equivalent O(8) atoms 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 Cr(1)O6 octahedra,  a cornercorner with one Cr(4)O6 octahedra, corners with two equivalent Li(8)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Ti(3)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Ti(4)O6 octahedra, edges with two equivalent Cr(2)O6 octahedra, and edges with two equivalent Cr(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-12°. There are four inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(14), one O(15), one O(5), and two equivalent O(12) atoms to form TiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Ti(4)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Li(7)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, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, and edges with two equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-6°. In the second Ti site, Ti(2) is bonded to one O(15), one O(16), one O(2), one O(6), and two equivalent O(9) atoms to form TiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(3)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra,  an edgeedge with one Cr(4)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, and edges with two equivalent Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-6°. In the third Ti site, Ti(3) is bonded to one O(13), one O(16), one O(3), one O(7), and two equivalent O(10) atoms to form TiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Ti(4)O6 octahedra, corners with two equivalent Ti(3)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)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 0-6°. In the fourth Ti site, Ti(4) is bonded to one O(13), one O(14), one O(4), one O(8), and two equivalent O(11) atoms to form TiO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(3)O6 octahedra, corners with two equivalent Ti(4)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra,  an edgeedge with one Cr(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(8)O6 octahedra, and edges with two equivalent Cr(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-6°. There are four inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(12), one O(16), one O(6), one O(7), and two equivalent O(1) atoms to form CrO6 octahedra that share  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one Li(8)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Cr(4)O6 octahedra, corners with two equivalent Cr(1)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Ti(3)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, edges with two equivalent Li(7)O6 octahedra, and edges with two equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-10°. In the second Cr site, Cr(2) is bonded to one O(13), one O(7), one O(8), one O(9), and two equivalent O(2) atoms to form CrO6 octahedra that share  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra,  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(3)O6 octahedra, corners with two equivalent Cr(2)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Ti(3)O6 octahedra,  an edgeedge with one Ti(4)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(7)O6 octahedra, edges with two equivalent Li(8)O6 octahedra, and edges with two equivalent Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-12°. In the third Cr site, Cr(3) is bonded to one O(10), one O(14), one O(5), one O(8), and two equivalent O(3) atoms to form CrO6 octahedra that share  a cornercorner with one Li(6)O6 octahedra,  a cornercorner with one Li(7)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Cr(4)O6 octahedra, corners with two equivalent Cr(3)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Li(8)O6 octahedra, and edges with two equivalent Ti(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-12°. In the fourth Cr site, Cr(4) is bonded to one O(11), one O(15), one O(5), one O(6), and two equivalent O(4) atoms to form CrO6 octahedra that share  a cornercorner with one Li(7)O6 octahedra,  a cornercorner with one Li(8)O6 octahedra,  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(3)O6 octahedra, corners with two equivalent Cr(4)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, and edges with two equivalent Ti(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-11°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded to one Li(3), one Li(6), one Li(7), one Ti(1), and two equivalent Cr(1) atoms to form OLi3TiCr2 octahedra that share  a cornercorner with one O(2)Li3TiCr2 octahedra,  a cornercorner with one O(4)Li3TiCr2 octahedra,  a cornercorner with one O(5)Li3TiCr2 octahedra,  a cornercorner with one O(8)Li3TiCr2 octahedra, corners with two equivalent O(1)Li3TiCr2 octahedra,  an edgeedge with one O(10)Li3Ti2Cr octahedra,  an edgeedge with one O(14)Li3Ti2Cr octahedra,  an edgeedge with one O(15)Li3Ti2Cr octahedra,  an edgeedge with one O(9)Li3Ti2Cr octahedra, edges with two equivalent O(12)Li3Ti2Cr octahedra, edges with two equivalent O(16)Li3Ti2Cr octahedra, edges with two equivalent O(6)Li3TiCr2 octahedra, and edges with two equivalent O(7)Li3TiCr2 octahedra. The corner-sharing octahedral tilt angles range from 2-11°. In the second O site, O(2) is bonded to one Li(4), one Li(7), one Li(8), one Ti(2), and two equivalent Cr(2) atoms to form OLi3TiCr2 octahedra that share  a cornercorner with one O(1)Li3TiCr2 octahedra,  a cornercorner with one O(3)Li3TiCr2 octahedra,  a cornercorner with one O(5)Li3TiCr2 octahedra,  a cornercorner with one O(6)Li3TiCr2 octahedra, corners with two equivalent O(2)Li3TiCr2 octahedra,  an edgeedge with one O(10)Li3Ti2Cr octahedra,  an edgeedge with one O(11)Li3Ti2Cr octahedra,  an edgeedge with one O(15)Li3Ti2Cr octahedra,  an edgeedge with one O(16)Li3Ti2Cr octahedra, edges with two equivalent O(13)Li3Ti2Cr octahedra, edges with two equivalent O(9)Li3Ti2Cr octahedra, edges with two equivalent O(7)Li3TiCr2 octahedra, and edges with two equivalent O(8)Li3TiCr2 octahedra. The corner-sharing octahedral tilt angles range from 0-11°. In the third O site, O(3) is bonded to one Li(1), one Li(5), one Li(8), one Ti(3), and two equivalent Cr(3) atoms to form OLi3TiCr2 octahedra that share  a cornercorner with one O(2)Li3TiCr2 octahedra,  a cornercorner with one O(4)Li3TiCr2 octahedra,  a cornercorner with one O(6)Li3TiCr2 octahedra,  a cornercorner with one O(7)Li3TiCr2 octahedra, corners with two equivalent O(3)Li3TiCr2 octahedra,  an edgeedge with one O(11)Li3Ti2Cr octahedra,  an edgeedge with one O(12)Li3Ti2Cr octahedra,  an edgeedge with one O(13)Li3Ti2Cr octahedra,  an edgeedge with one O(16)Li3Ti2Cr octahedra, edges with two equivalent O(10)Li3Ti2Cr octahedra, edges with two equivalent O(14)Li3Ti2Cr octahedra, edges with two equivalent O(5)Li3TiCr2 octahedra, and edges with two equivalent O(8)Li3TiCr2 octahedra. The corner-sharing octahedral tilt angles range from 0-11°. In the fourth O site, O(4) is bonded to one Li(2), one Li(5), one Li(6), one Ti(4), and two equivalent Cr(4) atoms to form OLi3TiCr2 octahedra that share  a cornercorner with one O(1)Li3TiCr2 octahedra,  a cornercorner with one O(3)Li3TiCr2 octahedra,  a cornercorner with one O(7)Li3TiCr2 octahedra,  a cornercorner with one O(8)Li3TiCr2 octahedra, corners with two equivalent O(4)Li3TiCr2 octahedra,  an edgeedge with one O(12)Li3Ti2Cr octahedra,  an edgeedge with one O(13)Li3Ti2Cr octahedra,  an edgeedge with one O(14)Li3Ti2Cr octahedra,  an edgeedge with one O(9)Li3Ti2Cr octahedra, edges with two equivalent O(11)Li3Ti2Cr octahedra, edges with two equivalent O(15)Li3Ti2Cr octahedra, edges with two equivalent O(5)Li3TiCr2 octahedra, and edges with two equivalent O(6)Li3TiCr2 octahedra. The corner-sharing octahedral tilt angles range from 0-11°. In the fifth O site, O(5) is bonded to one Li(4), two equivalent Li(5), one Ti(1), one Cr(3), and one Cr(4) atom to form OLi3TiCr2 octahedra that share  a cornercorner with one O(1)Li3TiCr2 octahedra,  a cornercorner with one O(2)Li3TiCr2 octahedra,  a cornercorner with one O(6)Li3TiCr2 octahedra,  a cornercorner with one O(8)Li3TiCr2 octahedra, corners with two equivalent O(5)Li3TiCr2 octahedra,  an edgeedge with one O(10)Li3Ti2Cr octahedra,  an edgeedge with one O(11)Li3Ti2Cr octahedra,  an edgeedge with one O(14)Li3Ti2Cr octahedra,  an edgeedge with one O(15)Li3Ti2Cr octahedra, edges with two equivalent O(12)Li3Ti2Cr octahedra, edges with two equivalent O(13)Li3Ti2Cr octahedra, edges with two equivalent O(3)Li3TiCr2 octahedra, and edges with two equivalent O(4)Li3TiCr2 octahedra. The corner-sharing octahedral tilt angles range from 2-12°. In the sixth O site, O(6) is bonded to one Li(1), two equivalent Li(6), one Ti(2), one Cr(1), and one Cr(4) atom to form OLi3TiCr2 octahedra that share  a cornercorner with one O(2)Li3TiCr2 octahedra,  a cornercorner with one O(3)Li3TiCr2 octahedra,  a cornercorner with one O(5)Li3TiCr2 octahedra,  a cornercorner with one O(7)Li3TiCr2 octahedra, corners with two equivalent O(6)Li3TiCr2 octahedra,  an edgeedge with one O(11)Li3Ti2Cr octahedra,  an edgeedge with one O(12)Li3Ti2Cr octahedra,  an edgeedge with one O(15)Li3Ti2Cr octahedra,  an edgeedge with one O(16)Li3Ti2Cr octahedra, edges with two equivalent O(14)Li3Ti2Cr octahedra, edges with two equivalent O(9)Li3Ti2Cr octahedra, edges with two equivalent O(1)Li3TiCr2 octahedra, and edges with two equivalent O(4)Li3TiCr2 octahedra. The corner-sharing octahedral tilt angles range from 0-11°. In the seventh O site, O(7) is bonded to one Li(2), two equivalent Li(7), one Ti(3), one Cr(1), and one Cr(2) atom to form OLi3TiCr2 octahedra that share  a cornercorner with one O(3)Li3TiCr2 octahedra,  a cornercorner with one O(4)Li3TiCr2 octahedra,  a cornercorner with one O(6)Li3TiCr2 octahedra,  a cornercorner with one O(8)Li3TiCr2 octahedra, corners with two equivalent O(7)Li3TiCr2 octahedra,  an edgeedge with one O(12)Li3Ti2Cr octahedra,  an edgeedge with one O(13)Li3Ti2Cr octahedra,  an edgeedge with one O(16)Li3Ti2Cr octahedra,  an edgeedge with one O(9)Li3Ti2Cr octahedra, edges with two equivalent O(10)Li3Ti2Cr octahedra, edges with two equivalent O(15)Li3Ti2Cr octahedra, edges with two equivalent O(1)Li3TiCr2 octahedra, and edges with two equivalent O(2)Li3TiCr2 octahedra. The corner-sharing octahedral tilt angles range from 0-11°. In the eighth O site, O(8) is bonded to one Li(3), two equivalent Li(8), one Ti(4), one Cr(2), and one Cr(3) atom to form OLi3TiCr2 octahedra that share  a cornercorner with one O(1)Li3TiCr2 octahedra,  a cornercorner with one O(4)Li3TiCr2 octahedra,  a cornercorner with one O(5)Li3TiCr2 octahedra,  a cornercorner with one O(7)Li3TiCr2 octahedra, corners with two equivalent O(8)Li3TiCr2 octahedra,  an edgeedge with one O(10)Li3Ti2Cr octahedra,  an edgeedge with one O(13)Li3Ti2Cr octahedra,  an edgeedge with one O(14)Li3Ti2Cr octahedra,  an edgeedge with one O(9)Li3Ti2Cr octahedra, edges with two equivalent O(11)Li3Ti2Cr octahedra, edges with two equivalent O(16)Li3Ti2Cr octahedra, edges with two equivalent O(2)Li3TiCr2 octahedra, and edges with two equivalent O(3)Li3TiCr2 octahedra. The corner-sharing octahedral tilt angles range from 2-12°. In the ninth O site, O(9) is bonded to one Li(2), one Li(3), one Li(6), two equivalent Ti(2), and one Cr(2) atom to form OLi3Ti2Cr octahedra that share  a cornercorner with one O(10)Li3Ti2Cr octahedra,  a cornercorner with one O(12)Li3Ti2Cr octahedra,  a cornercorner with one O(13)Li3Ti2Cr octahedra,  a cornercorner with one O(14)Li3Ti2Cr octahedra, corners with two equivalent O(9)Li3Ti2Cr octahedra,  an edgeedge with one O(1)Li3TiCr2 octahedra,  an edgeedge with one O(4)Li3TiCr2 octahedra,  an edgeedge with one O(7)Li3TiCr2 octahedra,  an edgeedge with one O(8)Li3TiCr2 octahedra, edges with two equivalent O(15)Li3Ti2Cr octahedra, edges with two equivalent O(16)Li3Ti2Cr octahedra, edges with two equivalent O(2)Li3TiCr2 octahedra, and edges with two equivalent O(6)Li3TiCr2 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. In the tenth O site, O(10) is bonded to one Li(3), one Li(4), one Li(7), two equivalent Ti(3), and one Cr(3) atom to form OLi3Ti2Cr octahedra that share  a cornercorner with one O(11)Li3Ti2Cr octahedra,  a cornercorner with one O(14)Li3Ti2Cr octahedra,  a cornercorner with one O(15)Li3Ti2Cr octahedra,  a cornercorner with one O(9)Li3Ti2Cr octahedra, corners with two equivalent O(10)Li3Ti2Cr octahedra,  an edgeedge with one O(1)Li3TiCr2 octahedra,  an edgeedge with one O(2)Li3TiCr2 octahedra,  an edgeedge with one O(5)Li3TiCr2 octahedra,  an edgeedge with one O(8)Li3TiCr2 octahedra, edges with two equivalent O(13)Li3Ti2Cr octahedra, edges with two equivalent O(16)Li3Ti2Cr octahedra, edges with two equivalent O(3)Li3TiCr2 octahedra, and edges with two equivalent O(7)Li3TiCr2 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. In the eleventh O site, O(11) is bonded to one Li(1), one Li(4), one Li(8), two equivalent Ti(4), and one Cr(4) atom to form OLi3Ti2Cr octahedra that share  a cornercorner with one O(10)Li3Ti2Cr octahedra,  a cornercorner with one O(12)Li3Ti2Cr octahedra,  a cornercorner with one O(15)Li3Ti2Cr octahedra,  a cornercorner with one O(16)Li3Ti2Cr octahedra, corners with two equivalent O(11)Li3Ti2Cr octahedra,  an edgeedge with one O(2)Li3TiCr2 octahedra,  an edgeedge with one O(3)Li3TiCr2 octahedra,  an edgeedge with one O(5)Li3TiCr2 octahedra,  an edgeedge with one O(6)Li3TiCr2 octahedra, edges with two equivalent O(13)Li3Ti2Cr octahedra, edges with two equivalent O(14)Li3Ti2Cr octahedra, edges with two equivalent O(4)Li3TiCr2 octahedra, and edges with two equivalent O(8)Li3TiCr2 octahedra. The corner-sharing octahedral tilt angles range from 1-6°. In the twelfth O site, O(12) is bonded to one Li(1), one Li(2), one Li(5), two equivalent Ti(1), and one Cr(1) atom to form OLi3Ti2Cr octahedra that share  a cornercorner with one O(11)Li3Ti2Cr octahedra,  a cornercorner with one O(13)Li3Ti2Cr octahedra,  a cornercorner with one O(16)Li3Ti2Cr octahedra,  a cornercorner with one O(9)Li3Ti2Cr octahedra, corners with two equivalent O(12)Li3Ti2Cr octahedra,  an edgeedge with one O(3)Li3TiCr2 octahedra,  an edgeedge with one O(4)Li3TiCr2 octahedra,  an edgeedge with one O(6)Li3TiCr2 octahedra,  an edgeedge with one O(7)Li3TiCr2 octahedra, edges with two equivalent O(14)Li3Ti2Cr octahedra, edges with two equivalent O(15)Li3Ti2Cr octahedra, edges with two equivalent O(1)Li3TiCr2 octahedra, and edges with two equivalent O(5)Li3TiCr2 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. In the thirteenth O site, O(13) is bonded to one Li(5), two equivalent Li(4), one Ti(3), one Ti(4), and one Cr(2) atom to form OLi3Ti2Cr octahedra that share  a cornercorner with one O(12)Li3Ti2Cr octahedra,  a cornercorner with one O(14)Li3Ti2Cr octahedra,  a cornercorner with one O(16)Li3Ti2Cr octahedra,  a cornercorner with one O(9)Li3Ti2Cr octahedra, corners with two equivalent O(13)Li3Ti2Cr octahedra,  an edgeedge with one O(3)Li3TiCr2 octahedra,  an edgeedge with one O(4)Li3TiCr2 octahedra,  an edgeedge with one O(7)Li3TiCr2 octahedra,  an edgeedge with one O(8)Li3TiCr2 octahedra, edges with two equivalent O(10)Li3Ti2Cr octahedra, edges with two equivalent O(11)Li3Ti2Cr octahedra, edges with two equivalent O(2)Li3TiCr2 octahedra, and edges with two equivalent O(5)Li3TiCr2 octahedra. The corner-sharing octahedral tilt angles range from 1-6°. In the fourteenth O site, O(14) is bonded to one Li(6), two equivalent Li(1), one Ti(1), one Ti(4), and one Cr(3) atom to form OLi3Ti2Cr octahedra that share  a cornercorner with one O(10)Li3Ti2Cr octahedra,  a cornercorner with one O(13)Li3Ti2Cr octahedra,  a cornercorner with one O(15)Li3Ti2Cr octahedra,  a cornercorner with one O(9)Li3Ti2Cr octahedra, corners with two equivalent O(14)Li3Ti2Cr octahedra,  an edgeedge with one O(1)Li3TiCr2 octahedra,  an edgeedge with one O(4)Li3TiCr2 octahedra,  an edgeedge with one O(5)Li3TiCr2 octahedra,  an edgeedge with one O(8)Li3TiCr2 octahedra, edges with two equivalent O(11)Li3Ti2Cr octahedra, edges with two equivalent O(12)Li3Ti2Cr octahedra, edges with two equivalent O(3)Li3TiCr2 octahedra, and edges with two equivalent O(6)Li3TiCr2 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the fifteenth O site, O(15) is bonded to one Li(7), two equivalent Li(2), one Ti(1), one Ti(2), and one Cr(4) atom to form OLi3Ti2Cr octahedra that share  a cornercorner with one O(10)Li3Ti2Cr octahedra,  a cornercorner with one O(11)Li3Ti2Cr octahedra,  a cornercorner with one O(14)Li3Ti2Cr octahedra,  a cornercorner with one O(16)Li3Ti2Cr octahedra, corners with two equivalent O(15)Li3Ti2Cr octahedra,  an edgeedge with one O(1)Li3TiCr2 octahedra,  an edgeedge with one O(2)Li3TiCr2 octahedra,  an edgeedge with one O(5)Li3TiCr2 octahedra,  an edgeedge with one O(6)Li3TiCr2 octahedra, edges with two equivalent O(12)Li3Ti2Cr octahedra, edges with two equivalent O(9)Li3Ti2Cr octahedra, edges with two equivalent O(4)Li3TiCr2 octahedra, and edges with two equivalent O(7)Li3TiCr2 octahedra. The corner-sharing octahedral tilt angles range from 1-6°. In the sixteenth O site, O(16) is bonded to one Li(8), two equivalent Li(3), one Ti(2), one Ti(3), and one Cr(1) atom to form OLi3Ti2Cr octahedra that share  a cornercorner with one O(11)Li3Ti2Cr octahedra,  a cornercorner with one O(12)Li3Ti2Cr octahedra,  a cornercorner with one O(13)Li3Ti2Cr octahedra,  a cornercorner with one O(15)Li3Ti2Cr octahedra, corners with two equivalent O(16)Li3Ti2Cr octahedra,  an edgeedge with one O(2)Li3TiCr2 octahedra,  an edgeedge with one O(3)Li3TiCr2 octahedra,  an edgeedge with one O(6)Li3TiCr2 octahedra,  an edgeedge with one O(7)Li3TiCr2 octahedra, edges with two equivalent O(10)Li3Ti2Cr octahedra, edges with two equivalent O(9)Li3Ti2Cr octahedra, edges with two equivalent O(1)Li3TiCr2 octahedra, and edges with two equivalent O(8)Li3TiCr2 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2TiCrO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.161
_cell_length_b   4.163
_cell_length_c   5.222
_cell_angle_alpha   66.510
_cell_angle_beta   66.541
_cell_angle_gamma   89.998
_symmetry_Int_Tables_number   1
_cell_volume   74.744
_cell_formula_units_Z   1
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  1.000  1.000  0.000  1.0
  Li  Li1  1  0.248  0.748  0.503  1.0
  Li  Li2  1  0.501  0.501  0.999  1.0
  O  O3  1  0.978  0.478  0.044  1.0
  O  O4  1  0.523  0.023  0.954  1.0
  O  O5  1  0.760  0.760  0.480  1.0
  O  O6  1  0.240  0.240  0.521  1.0
  Ti  Ti7  1  0.750  0.250  0.500  1.0
[/CIF]
.