The crystal structure described by Li6Mg(Ni6O13)2 crystallizes in the triclinic P1 space group. There are six inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(22), one O(23), one O(26), one O(4), and one O(5) atom to form distorted LiO6 octahedra that share  a cornercorner with one Ni(4)O6 octahedra,  a cornercorner with one Ni(5)O6 octahedra,  a cornercorner with one Ni(8)O6 octahedra,  a cornercorner with one Ni(9)O6 octahedra, corners with two equivalent Mg(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(10)O6 octahedra,  an edgeedge with one Ni(11)O6 octahedra,  an edgeedge with one Ni(12)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra, and  an edgeedge with one Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-18°. In the second Li site, Li(2) is bonded to one O(12), one O(14), one O(15), one O(4), one O(5), and one O(8) atom to form LiO6 octahedra that share  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(10)O6 octahedra,  a cornercorner with one Ni(12)O6 octahedra,  a cornercorner with one Ni(9)O6 octahedra, corners with two equivalent Ni(7)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra,  an edgeedge with one Ni(5)O6 octahedra,  an edgeedge with one Ni(6)O6 octahedra, and  an edgeedge with one Ni(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-14°. In the third Li site, Li(3) is bonded to one O(14), one O(16), one O(17), one O(18), one O(6), and one O(8) atom to form distorted LiO6 octahedra that share  a cornercorner with one Mg(1)O6 octahedra,  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(10)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra, corners with two equivalent Ni(8)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Ni(11)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra,  an edgeedge with one Ni(5)O6 octahedra,  an edgeedge with one Ni(6)O6 octahedra,  an edgeedge with one Ni(7)O6 octahedra, and  an edgeedge with one Ni(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-15°. In the fourth Li site, Li(4) is bonded to one O(10), one O(11), one O(13), one O(19), one O(21), and one O(9) atom to form distorted LiO6 octahedra that share  a cornercorner with one Mg(1)O6 octahedra,  a cornercorner with one Ni(11)O6 octahedra,  a cornercorner with one Ni(12)O6 octahedra,  a cornercorner with one Ni(3)O6 octahedra, corners with two equivalent Ni(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra,  an edgeedge with one Ni(6)O6 octahedra,  an edgeedge with one Ni(7)O6 octahedra,  an edgeedge with one Ni(8)O6 octahedra, and  an edgeedge with one Ni(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-20°. In the fifth Li site, Li(5) is bonded to one O(16), one O(18), one O(2), one O(24), one O(25), and one O(7) atom to form distorted LiO6 octahedra that share  a cornercorner with one Ni(2)O6 octahedra,  a cornercorner with one Ni(5)O6 octahedra,  a cornercorner with one Ni(6)O6 octahedra,  a cornercorner with one Ni(7)O6 octahedra, corners with two equivalent Ni(12)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Mg(1)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(10)O6 octahedra,  an edgeedge with one Ni(11)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra, and  an edgeedge with one Ni(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-17°. In the sixth Li site, Li(6) is bonded to one O(19), one O(20), one O(21), one O(23), one O(26), and one O(3) atom to form distorted LiO6 octahedra that share  a cornercorner with one Ni(3)O6 octahedra,  a cornercorner with one Ni(4)O6 octahedra,  a cornercorner with one Ni(7)O6 octahedra,  a cornercorner with one Ni(8)O6 octahedra, corners with two equivalent Ni(10)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Mg(1)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(11)O6 octahedra,  an edgeedge with one Ni(12)O6 octahedra,  an edgeedge with one Ni(6)O6 octahedra, and  an edgeedge with one Ni(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-16°. Mg(1) is bonded to one O(1), one O(18), one O(20), one O(26), one O(7), and one O(9) atom to form MgO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra, corners with two equivalent Li(1)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Ni(10)O6 octahedra,  an edgeedge with one Ni(11)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra,  an edgeedge with one Ni(6)O6 octahedra, and  an edgeedge with one Ni(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-20°. There are twelve inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(2), one O(23), one O(24), one O(3), one O(5), and one O(6) atom to form NiO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Ni(10)O6 octahedra,  an edgeedge with one Ni(12)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra,  an edgeedge with one Ni(5)O6 octahedra, and  an edgeedge with one Ni(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 12-15°. In the second Ni site, Ni(2) is bonded to one O(1), one O(10), one O(2), one O(5), one O(8), and one O(9) atom to form NiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Mg(1)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(10)O6 octahedra,  an edgeedge with one Ni(5)O6 octahedra,  an edgeedge with one Ni(6)O6 octahedra, and  an edgeedge with one Ni(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-17°. In the third Ni site, Ni(3) is bonded to one O(11), one O(12), one O(25), one O(26), one O(4), and one O(7) atom to form NiO6 octahedra that share  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Mg(1)O6 octahedra,  an edgeedge with one Ni(11)O6 octahedra,  an edgeedge with one Ni(12)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra,  an edgeedge with one Ni(7)O6 octahedra, and  an edgeedge with one Ni(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 13-14°. In the fourth Ni site, Ni(4) is bonded to one O(11), one O(13), one O(14), one O(3), one O(4), and one O(6) atom to form NiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(12)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra,  an edgeedge with one Ni(5)O6 octahedra,  an edgeedge with one Ni(8)O6 octahedra, and  an edgeedge with one Ni(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-16°. In the fifth Ni site, Ni(5) is bonded to one O(10), one O(13), one O(15), one O(16), one O(5), and one O(6) atom to form NiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra, corners with two equivalent Li(4)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(10)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra,  an edgeedge with one Ni(6)O6 octahedra, and  an edgeedge with one Ni(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-17°. In the sixth Ni site, Ni(6) is bonded to one O(10), one O(15), one O(18), one O(19), one O(20), and one O(8) atom to form NiO6 octahedra that share  a cornercorner with one Li(5)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Mg(1)O6 octahedra,  an edgeedge with one Ni(10)O6 octahedra,  an edgeedge with one Ni(11)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra,  an edgeedge with one Ni(5)O6 octahedra, and  an edgeedge with one Ni(7)O6 octahedra. The corner-sharing octahedral tilt angles are 11°. In the seventh Ni site, Ni(7) is bonded to one O(12), one O(17), one O(19), one O(7), one O(8), and one O(9) atom to form NiO6 octahedra that share  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra, corners with two equivalent Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Mg(1)O6 octahedra,  an edgeedge with one Ni(11)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra,  an edgeedge with one Ni(6)O6 octahedra, and  an edgeedge with one Ni(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-13°. In the eighth Ni site, Ni(8) is bonded to one O(11), one O(12), one O(14), one O(17), one O(21), and one O(22) atom to form NiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra, corners with two equivalent Li(3)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Ni(11)O6 octahedra,  an edgeedge with one Ni(12)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra,  an edgeedge with one Ni(7)O6 octahedra, and  an edgeedge with one Ni(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-18°. In the ninth Ni site, Ni(9) is bonded to one O(13), one O(14), one O(16), one O(21), one O(23), and one O(24) atom to form NiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(10)O6 octahedra,  an edgeedge with one Ni(12)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra,  an edgeedge with one Ni(5)O6 octahedra, and  an edgeedge with one Ni(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 14-17°. In the tenth Ni site, Ni(10) is bonded to one O(1), one O(15), one O(16), one O(2), one O(20), and one O(23) atom to form NiO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra, corners with two equivalent Li(6)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Mg(1)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra,  an edgeedge with one Ni(5)O6 octahedra,  an edgeedge with one Ni(6)O6 octahedra, and  an edgeedge with one Ni(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-16°. In the eleventh Ni site, Ni(11) is bonded to one O(17), one O(18), one O(19), one O(22), one O(25), and one O(26) atom to form NiO6 octahedra that share  a cornercorner with one Li(4)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Mg(1)O6 octahedra,  an edgeedge with one Ni(12)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra,  an edgeedge with one Ni(6)O6 octahedra,  an edgeedge with one Ni(7)O6 octahedra, and  an edgeedge with one Ni(8)O6 octahedra. The corner-sharing octahedral tilt angles are 10°. In the twelfth Ni site, Ni(12) is bonded to one O(21), one O(22), one O(24), one O(25), one O(3), and one O(4) atom to form NiO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra, corners with two equivalent Li(5)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(11)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra,  an edgeedge with one Ni(8)O6 octahedra, and  an edgeedge with one Ni(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-15°. There are twenty-six inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(1), one Mg(1), one Ni(10), and one Ni(2) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Li(5), one Ni(1), one Ni(10), and one Ni(2) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(6), one Ni(1), one Ni(12), and one Ni(4) atom. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), one Ni(12), one Ni(3), and one Ni(4) atom to form OLi2Ni3 square pyramids that share  a cornercorner with one O(21)Li2Ni3 square pyramid,  a cornercorner with one O(23)Li2Ni3 square pyramid,  a cornercorner with one O(8)Li2Ni3 square pyramid,  an edgeedge with one O(26)Li2MgNi2 square pyramid,  an edgeedge with one O(14)Li2Ni3 square pyramid,  an edgeedge with one O(5)Li2Ni3 square pyramid, and  an edgeedge with one O(22)LiNi3 trigonal pyramid. In the fifth O site, O(5) is bonded to one Li(1), one Li(2), one Ni(1), one Ni(2), and one Ni(5) atom to form OLi2Ni3 square pyramids that share  a cornercorner with one O(26)Li2MgNi2 square pyramid,  a cornercorner with one O(14)Li2Ni3 square pyramid,  a cornercorner with one O(16)Li2Ni3 square pyramid,  a cornercorner with one O(22)LiNi3 trigonal pyramid,  an edgeedge with one O(23)Li2Ni3 square pyramid,  an edgeedge with one O(4)Li2Ni3 square pyramid, and  an edgeedge with one O(8)Li2Ni3 square pyramid. In the sixth O site, O(6) is bonded in a see-saw-like geometry to one Li(3), one Ni(1), one Ni(4), and one Ni(5) atom. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Li(5), one Mg(1), one Ni(3), and one Ni(7) atom. In the eighth O site, O(8) is bonded to one Li(2), one Li(3), one Ni(2), one Ni(6), and one Ni(7) atom to form OLi2Ni3 square pyramids that share  a cornercorner with one O(16)Li2Ni3 square pyramid,  a cornercorner with one O(4)Li2Ni3 square pyramid,  an edgeedge with one O(18)Li2MgNi2 square pyramid,  an edgeedge with one O(14)Li2Ni3 square pyramid,  an edgeedge with one O(19)Li2Ni3 square pyramid, and  an edgeedge with one O(5)Li2Ni3 square pyramid. In the ninth O site, O(9) is bonded in a rectangular see-saw-like geometry to one Li(4), one Mg(1), one Ni(2), and one Ni(7) atom. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to one Li(4), one Ni(2), one Ni(5), and one Ni(6) atom. In the eleventh O site, O(11) is bonded in a rectangular see-saw-like geometry to one Li(4), one Ni(3), one Ni(4), and one Ni(8) atom. In the twelfth O site, O(12) is bonded in a rectangular see-saw-like geometry to one Li(2), one Ni(3), one Ni(7), and one Ni(8) atom. In the thirteenth O site, O(13) is bonded in a rectangular see-saw-like geometry to one Li(4), one Ni(4), one Ni(5), and one Ni(9) atom. In the fourteenth O site, O(14) is bonded to one Li(2), one Li(3), one Ni(4), one Ni(8), and one Ni(9) atom to form OLi2Ni3 square pyramids that share  a cornercorner with one O(18)Li2MgNi2 square pyramid,  a cornercorner with one O(23)Li2Ni3 square pyramid,  a cornercorner with one O(5)Li2Ni3 square pyramid,  a cornercorner with one O(22)LiNi3 trigonal pyramid,  an edgeedge with one O(16)Li2Ni3 square pyramid,  an edgeedge with one O(21)Li2Ni3 square pyramid,  an edgeedge with one O(4)Li2Ni3 square pyramid, and  an edgeedge with one O(8)Li2Ni3 square pyramid. In the fifteenth O site, O(15) is bonded in a rectangular see-saw-like geometry to one Li(2), one Ni(10), one Ni(5), and one Ni(6) atom. In the sixteenth O site, O(16) is bonded to one Li(3), one Li(5), one Ni(10), one Ni(5), and one Ni(9) atom to form OLi2Ni3 square pyramids that share  a cornercorner with one O(21)Li2Ni3 square pyramid,  a cornercorner with one O(5)Li2Ni3 square pyramid,  a cornercorner with one O(8)Li2Ni3 square pyramid,  an edgeedge with one O(18)Li2MgNi2 square pyramid,  an edgeedge with one O(14)Li2Ni3 square pyramid, and  an edgeedge with one O(23)Li2Ni3 square pyramid. In the seventeenth O site, O(17) is bonded in a rectangular see-saw-like geometry to one Li(3), one Ni(11), one Ni(7), and one Ni(8) atom. In the eighteenth O site, O(18) is bonded to one Li(3), one Li(5), one Mg(1), one Ni(11), and one Ni(6) atom to form OLi2MgNi2 square pyramids that share  a cornercorner with one O(14)Li2Ni3 square pyramid,  a cornercorner with one O(22)LiNi3 trigonal pyramid,  an edgeedge with one O(26)Li2MgNi2 square pyramid,  an edgeedge with one O(16)Li2Ni3 square pyramid,  an edgeedge with one O(19)Li2Ni3 square pyramid, and  an edgeedge with one O(8)Li2Ni3 square pyramid. In the nineteenth O site, O(19) is bonded to one Li(4), one Li(6), one Ni(11), one Ni(6), and one Ni(7) atom to form OLi2Ni3 square pyramids that share  a cornercorner with one O(23)Li2Ni3 square pyramid,  a cornercorner with one O(22)LiNi3 trigonal pyramid,  an edgeedge with one O(18)Li2MgNi2 square pyramid,  an edgeedge with one O(26)Li2MgNi2 square pyramid,  an edgeedge with one O(21)Li2Ni3 square pyramid, and  an edgeedge with one O(8)Li2Ni3 square pyramid. In the twentieth O site, O(20) is bonded in a rectangular see-saw-like geometry to one Li(6), one Mg(1), one Ni(10), and one Ni(6) atom. In the twenty-first O site, O(21) is bonded to one Li(4), one Li(6), one Ni(12), one Ni(8), and one Ni(9) atom to form OLi2Ni3 square pyramids that share  a cornercorner with one O(26)Li2MgNi2 square pyramid,  a cornercorner with one O(16)Li2Ni3 square pyramid,  a cornercorner with one O(4)Li2Ni3 square pyramid,  an edgeedge with one O(14)Li2Ni3 square pyramid,  an edgeedge with one O(19)Li2Ni3 square pyramid,  an edgeedge with one O(23)Li2Ni3 square pyramid, and  an edgeedge with one O(22)LiNi3 trigonal pyramid. In the twenty-second O site, O(22) is bonded to one Li(1), one Ni(11), one Ni(12), and one Ni(8) atom to form OLiNi3 trigonal pyramids that share  a cornercorner with one O(18)Li2MgNi2 square pyramid,  a cornercorner with one O(14)Li2Ni3 square pyramid,  a cornercorner with one O(19)Li2Ni3 square pyramid,  a cornercorner with one O(23)Li2Ni3 square pyramid,  a cornercorner with one O(5)Li2Ni3 square pyramid,  an edgeedge with one O(26)Li2MgNi2 square pyramid,  an edgeedge with one O(21)Li2Ni3 square pyramid, and  an edgeedge with one O(4)Li2Ni3 square pyramid. In the twenty-third O site, O(23) is bonded to one Li(1), one Li(6), one Ni(1), one Ni(10), and one Ni(9) atom to form OLi2Ni3 square pyramids that share  a cornercorner with one O(14)Li2Ni3 square pyramid,  a cornercorner with one O(19)Li2Ni3 square pyramid,  a cornercorner with one O(4)Li2Ni3 square pyramid,  a cornercorner with one O(22)LiNi3 trigonal pyramid,  an edgeedge with one O(26)Li2MgNi2 square pyramid,  an edgeedge with one O(16)Li2Ni3 square pyramid,  an edgeedge with one O(21)Li2Ni3 square pyramid, and  an edgeedge with one O(5)Li2Ni3 square pyramid. In the twenty-fourth O site, O(24) is bonded in a rectangular see-saw-like geometry to one Li(5), one Ni(1), one Ni(12), and one Ni(9) atom. In the twenty-fifth O site, O(25) is bonded in a rectangular see-saw-like geometry to one Li(5), one Ni(11), one Ni(12), and one Ni(3) atom. In the twenty-sixth O site, O(26) is bonded to one Li(1), one Li(6), one Mg(1), one Ni(11), and one Ni(3) atom to form OLi2MgNi2 square pyramids that share  a cornercorner with one O(21)Li2Ni3 square pyramid,  a cornercorner with one O(5)Li2Ni3 square pyramid,  an edgeedge with one O(18)Li2MgNi2 square pyramid,  an edgeedge with one O(19)Li2Ni3 square pyramid,  an edgeedge with one O(23)Li2Ni3 square pyramid,  an edgeedge with one O(4)Li2Ni3 square pyramid, and  an edgeedge with one O(22)LiNi3 trigonal pyramid. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li6Mg(Ni6O13)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.486
_cell_length_b   7.683
_cell_length_c   8.128
_cell_angle_alpha   78.068
_cell_angle_beta   75.358
_cell_angle_gamma   86.617
_symmetry_Int_Tables_number   1
_cell_volume   442.534
_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
  Li  Li0  1  0.976  0.992  0.494  1.0
  Li  Li1  1  0.396  0.933  0.437  1.0
  Li  Li2  1  0.531  0.686  0.177  1.0
  Li  Li3  1  0.436  0.316  0.812  1.0
  Li  Li4  1  0.946  0.612  0.110  1.0
  Li  Li5  1  0.854  0.250  0.747  1.0
  Mg  Mg6  1  0.005  0.001  0.002  1.0
  Ni  Ni7  1  0.077  0.385  0.382  1.0
  Ni  Ni8  1  0.234  0.152  0.155  1.0
  Ni  Ni9  1  0.153  0.773  0.768  1.0
  Ni  Ni10  1  0.303  0.544  0.538  1.0
  Ni  Ni11  1  0.462  0.307  0.309  1.0
  Ni  Ni12  1  0.618  0.069  0.080  1.0
  Ni  Ni13  1  0.387  0.922  0.921  1.0
  Ni  Ni14  1  0.537  0.694  0.690  1.0
  Ni  Ni15  1  0.692  0.461  0.462  1.0
  Ni  Ni16  1  0.847  0.232  0.232  1.0
  Ni  Ni17  1  0.771  0.844  0.843  1.0
  Ni  Ni18  1  0.922  0.613  0.615  1.0
  O  O19  1  0.003  0.037  0.240  1.0
  O  O20  1  0.057  0.369  0.162  1.0
  O  O21  1  0.079  0.412  0.607  1.0
  O  O22  1  0.153  0.751  0.542  1.0
  O  O23  1  0.240  0.180  0.381  1.0
  O  O24  1  0.307  0.511  0.311  1.0
  O  O25  1  0.172  0.786  0.988  1.0
  O  O26  1  0.406  0.928  0.149  1.0
  O  O27  1  0.249  0.129  0.928  1.0
  O  O28  1  0.464  0.272  0.085  1.0
  O  O29  1  0.303  0.566  0.761  1.0
  O  O30  1  0.367  0.909  0.698  1.0
  O  O31  1  0.458  0.342  0.536  1.0
  O  O32  1  0.514  0.682  0.467  1.0
  O  O33  1  0.617  0.102  0.306  1.0
  O  O34  1  0.682  0.437  0.237  1.0
  O  O35  1  0.545  0.719  0.913  1.0
  O  O36  1  0.763  0.859  0.072  1.0
  O  O37  1  0.615  0.052  0.853  1.0
  O  O38  1  0.828  0.210  0.010  1.0
  O  O39  1  0.698  0.469  0.685  1.0
  O  O40  1  0.773  0.816  0.619  1.0
  O  O41  1  0.868  0.245  0.456  1.0
  O  O42  1  0.922  0.581  0.374  1.0
  O  O43  1  0.929  0.649  0.855  1.0
  O  O44  1  0.990  0.971  0.758  1.0
[/CIF]
.
The crystal structure described by Li6Mg(Ni6O13)2 crystallizes in the triclinic P1 space group. There are six inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(22), one O(23), one O(26), one O(4), and one O(5) atom to form distorted LiO6 octahedra that share  a cornercorner with one Ni(4)O6 octahedra,  a cornercorner with one Ni(5)O6 octahedra,  a cornercorner with one Ni(8)O6 octahedra,  a cornercorner with one Ni(9)O6 octahedra, corners with two equivalent Mg(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(10)O6 octahedra,  an edgeedge with one Ni(11)O6 octahedra,  an edgeedge with one Ni(12)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra, and  an edgeedge with one Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-18°. In the second Li site, Li(2) is bonded to one O(12), one O(14), one O(15), one O(4), one O(5), and one O(8) atom to form LiO6 octahedra that share  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(10)O6 octahedra,  a cornercorner with one Ni(12)O6 octahedra,  a cornercorner with one Ni(9)O6 octahedra, corners with two equivalent Ni(7)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra,  an edgeedge with one Ni(5)O6 octahedra,  an edgeedge with one Ni(6)O6 octahedra, and  an edgeedge with one Ni(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-14°. In the third Li site, Li(3) is bonded to one O(14), one O(16), one O(17), one O(18), one O(6), and one O(8) atom to form distorted LiO6 octahedra that share  a cornercorner with one Mg(1)O6 octahedra,  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(10)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra, corners with two equivalent Ni(8)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Ni(11)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra,  an edgeedge with one Ni(5)O6 octahedra,  an edgeedge with one Ni(6)O6 octahedra,  an edgeedge with one Ni(7)O6 octahedra, and  an edgeedge with one Ni(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-15°. In the fourth Li site, Li(4) is bonded to one O(10), one O(11), one O(13), one O(19), one O(21), and one O(9) atom to form distorted LiO6 octahedra that share  a cornercorner with one Mg(1)O6 octahedra,  a cornercorner with one Ni(11)O6 octahedra,  a cornercorner with one Ni(12)O6 octahedra,  a cornercorner with one Ni(3)O6 octahedra, corners with two equivalent Ni(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra,  an edgeedge with one Ni(6)O6 octahedra,  an edgeedge with one Ni(7)O6 octahedra,  an edgeedge with one Ni(8)O6 octahedra, and  an edgeedge with one Ni(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-20°. In the fifth Li site, Li(5) is bonded to one O(16), one O(18), one O(2), one O(24), one O(25), and one O(7) atom to form distorted LiO6 octahedra that share  a cornercorner with one Ni(2)O6 octahedra,  a cornercorner with one Ni(5)O6 octahedra,  a cornercorner with one Ni(6)O6 octahedra,  a cornercorner with one Ni(7)O6 octahedra, corners with two equivalent Ni(12)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Mg(1)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(10)O6 octahedra,  an edgeedge with one Ni(11)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra, and  an edgeedge with one Ni(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-17°. In the sixth Li site, Li(6) is bonded to one O(19), one O(20), one O(21), one O(23), one O(26), and one O(3) atom to form distorted LiO6 octahedra that share  a cornercorner with one Ni(3)O6 octahedra,  a cornercorner with one Ni(4)O6 octahedra,  a cornercorner with one Ni(7)O6 octahedra,  a cornercorner with one Ni(8)O6 octahedra, corners with two equivalent Ni(10)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Mg(1)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(11)O6 octahedra,  an edgeedge with one Ni(12)O6 octahedra,  an edgeedge with one Ni(6)O6 octahedra, and  an edgeedge with one Ni(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-16°. Mg(1) is bonded to one O(1), one O(18), one O(20), one O(26), one O(7), and one O(9) atom to form MgO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra, corners with two equivalent Li(1)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Ni(10)O6 octahedra,  an edgeedge with one Ni(11)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra,  an edgeedge with one Ni(6)O6 octahedra, and  an edgeedge with one Ni(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-20°. There are twelve inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(2), one O(23), one O(24), one O(3), one O(5), and one O(6) atom to form NiO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Ni(10)O6 octahedra,  an edgeedge with one Ni(12)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra,  an edgeedge with one Ni(5)O6 octahedra, and  an edgeedge with one Ni(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 12-15°. In the second Ni site, Ni(2) is bonded to one O(1), one O(10), one O(2), one O(5), one O(8), and one O(9) atom to form NiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Mg(1)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(10)O6 octahedra,  an edgeedge with one Ni(5)O6 octahedra,  an edgeedge with one Ni(6)O6 octahedra, and  an edgeedge with one Ni(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-17°. In the third Ni site, Ni(3) is bonded to one O(11), one O(12), one O(25), one O(26), one O(4), and one O(7) atom to form NiO6 octahedra that share  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Mg(1)O6 octahedra,  an edgeedge with one Ni(11)O6 octahedra,  an edgeedge with one Ni(12)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra,  an edgeedge with one Ni(7)O6 octahedra, and  an edgeedge with one Ni(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 13-14°. In the fourth Ni site, Ni(4) is bonded to one O(11), one O(13), one O(14), one O(3), one O(4), and one O(6) atom to form NiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(12)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra,  an edgeedge with one Ni(5)O6 octahedra,  an edgeedge with one Ni(8)O6 octahedra, and  an edgeedge with one Ni(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-16°. In the fifth Ni site, Ni(5) is bonded to one O(10), one O(13), one O(15), one O(16), one O(5), and one O(6) atom to form NiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra, corners with two equivalent Li(4)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(10)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra,  an edgeedge with one Ni(6)O6 octahedra, and  an edgeedge with one Ni(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-17°. In the sixth Ni site, Ni(6) is bonded to one O(10), one O(15), one O(18), one O(19), one O(20), and one O(8) atom to form NiO6 octahedra that share  a cornercorner with one Li(5)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Mg(1)O6 octahedra,  an edgeedge with one Ni(10)O6 octahedra,  an edgeedge with one Ni(11)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra,  an edgeedge with one Ni(5)O6 octahedra, and  an edgeedge with one Ni(7)O6 octahedra. The corner-sharing octahedral tilt angles are 11°. In the seventh Ni site, Ni(7) is bonded to one O(12), one O(17), one O(19), one O(7), one O(8), and one O(9) atom to form NiO6 octahedra that share  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra, corners with two equivalent Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Mg(1)O6 octahedra,  an edgeedge with one Ni(11)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra,  an edgeedge with one Ni(6)O6 octahedra, and  an edgeedge with one Ni(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-13°. In the eighth Ni site, Ni(8) is bonded to one O(11), one O(12), one O(14), one O(17), one O(21), and one O(22) atom to form NiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra, corners with two equivalent Li(3)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Ni(11)O6 octahedra,  an edgeedge with one Ni(12)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra,  an edgeedge with one Ni(7)O6 octahedra, and  an edgeedge with one Ni(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-18°. In the ninth Ni site, Ni(9) is bonded to one O(13), one O(14), one O(16), one O(21), one O(23), and one O(24) atom to form NiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(10)O6 octahedra,  an edgeedge with one Ni(12)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra,  an edgeedge with one Ni(5)O6 octahedra, and  an edgeedge with one Ni(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 14-17°. In the tenth Ni site, Ni(10) is bonded to one O(1), one O(15), one O(16), one O(2), one O(20), and one O(23) atom to form NiO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra, corners with two equivalent Li(6)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Mg(1)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra,  an edgeedge with one Ni(5)O6 octahedra,  an edgeedge with one Ni(6)O6 octahedra, and  an edgeedge with one Ni(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-16°. In the eleventh Ni site, Ni(11) is bonded to one O(17), one O(18), one O(19), one O(22), one O(25), and one O(26) atom to form NiO6 octahedra that share  a cornercorner with one Li(4)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Mg(1)O6 octahedra,  an edgeedge with one Ni(12)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra,  an edgeedge with one Ni(6)O6 octahedra,  an edgeedge with one Ni(7)O6 octahedra, and  an edgeedge with one Ni(8)O6 octahedra. The corner-sharing octahedral tilt angles are 10°. In the twelfth Ni site, Ni(12) is bonded to one O(21), one O(22), one O(24), one O(25), one O(3), and one O(4) atom to form NiO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra, corners with two equivalent Li(5)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(11)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra,  an edgeedge with one Ni(8)O6 octahedra, and  an edgeedge with one Ni(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-15°. There are twenty-six inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(1), one Mg(1), one Ni(10), and one Ni(2) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Li(5), one Ni(1), one Ni(10), and one Ni(2) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(6), one Ni(1), one Ni(12), and one Ni(4) atom. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), one Ni(12), one Ni(3), and one Ni(4) atom to form OLi2Ni3 square pyramids that share  a cornercorner with one O(21)Li2Ni3 square pyramid,  a cornercorner with one O(23)Li2Ni3 square pyramid,  a cornercorner with one O(8)Li2Ni3 square pyramid,  an edgeedge with one O(26)Li2MgNi2 square pyramid,  an edgeedge with one O(14)Li2Ni3 square pyramid,  an edgeedge with one O(5)Li2Ni3 square pyramid, and  an edgeedge with one O(22)LiNi3 trigonal pyramid. In the fifth O site, O(5) is bonded to one Li(1), one Li(2), one Ni(1), one Ni(2), and one Ni(5) atom to form OLi2Ni3 square pyramids that share  a cornercorner with one O(26)Li2MgNi2 square pyramid,  a cornercorner with one O(14)Li2Ni3 square pyramid,  a cornercorner with one O(16)Li2Ni3 square pyramid,  a cornercorner with one O(22)LiNi3 trigonal pyramid,  an edgeedge with one O(23)Li2Ni3 square pyramid,  an edgeedge with one O(4)Li2Ni3 square pyramid, and  an edgeedge with one O(8)Li2Ni3 square pyramid. In the sixth O site, O(6) is bonded in a see-saw-like geometry to one Li(3), one Ni(1), one Ni(4), and one Ni(5) atom. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Li(5), one Mg(1), one Ni(3), and one Ni(7) atom. In the eighth O site, O(8) is bonded to one Li(2), one Li(3), one Ni(2), one Ni(6), and one Ni(7) atom to form OLi2Ni3 square pyramids that share  a cornercorner with one O(16)Li2Ni3 square pyramid,  a cornercorner with one O(4)Li2Ni3 square pyramid,  an edgeedge with one O(18)Li2MgNi2 square pyramid,  an edgeedge with one O(14)Li2Ni3 square pyramid,  an edgeedge with one O(19)Li2Ni3 square pyramid, and  an edgeedge with one O(5)Li2Ni3 square pyramid. In the ninth O site, O(9) is bonded in a rectangular see-saw-like geometry to one Li(4), one Mg(1), one Ni(2), and one Ni(7) atom. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to one Li(4), one Ni(2), one Ni(5), and one Ni(6) atom. In the eleventh O site, O(11) is bonded in a rectangular see-saw-like geometry to one Li(4), one Ni(3), one Ni(4), and one Ni(8) atom. In the twelfth O site, O(12) is bonded in a rectangular see-saw-like geometry to one Li(2), one Ni(3), one Ni(7), and one Ni(8) atom. In the thirteenth O site, O(13) is bonded in a rectangular see-saw-like geometry to one Li(4), one Ni(4), one Ni(5), and one Ni(9) atom. In the fourteenth O site, O(14) is bonded to one Li(2), one Li(3), one Ni(4), one Ni(8), and one Ni(9) atom to form OLi2Ni3 square pyramids that share  a cornercorner with one O(18)Li2MgNi2 square pyramid,  a cornercorner with one O(23)Li2Ni3 square pyramid,  a cornercorner with one O(5)Li2Ni3 square pyramid,  a cornercorner with one O(22)LiNi3 trigonal pyramid,  an edgeedge with one O(16)Li2Ni3 square pyramid,  an edgeedge with one O(21)Li2Ni3 square pyramid,  an edgeedge with one O(4)Li2Ni3 square pyramid, and  an edgeedge with one O(8)Li2Ni3 square pyramid. In the fifteenth O site, O(15) is bonded in a rectangular see-saw-like geometry to one Li(2), one Ni(10), one Ni(5), and one Ni(6) atom. In the sixteenth O site, O(16) is bonded to one Li(3), one Li(5), one Ni(10), one Ni(5), and one Ni(9) atom to form OLi2Ni3 square pyramids that share  a cornercorner with one O(21)Li2Ni3 square pyramid,  a cornercorner with one O(5)Li2Ni3 square pyramid,  a cornercorner with one O(8)Li2Ni3 square pyramid,  an edgeedge with one O(18)Li2MgNi2 square pyramid,  an edgeedge with one O(14)Li2Ni3 square pyramid, and  an edgeedge with one O(23)Li2Ni3 square pyramid. In the seventeenth O site, O(17) is bonded in a rectangular see-saw-like geometry to one Li(3), one Ni(11), one Ni(7), and one Ni(8) atom. In the eighteenth O site, O(18) is bonded to one Li(3), one Li(5), one Mg(1), one Ni(11), and one Ni(6) atom to form OLi2MgNi2 square pyramids that share  a cornercorner with one O(14)Li2Ni3 square pyramid,  a cornercorner with one O(22)LiNi3 trigonal pyramid,  an edgeedge with one O(26)Li2MgNi2 square pyramid,  an edgeedge with one O(16)Li2Ni3 square pyramid,  an edgeedge with one O(19)Li2Ni3 square pyramid, and  an edgeedge with one O(8)Li2Ni3 square pyramid. In the nineteenth O site, O(19) is bonded to one Li(4), one Li(6), one Ni(11), one Ni(6), and one Ni(7) atom to form OLi2Ni3 square pyramids that share  a cornercorner with one O(23)Li2Ni3 square pyramid,  a cornercorner with one O(22)LiNi3 trigonal pyramid,  an edgeedge with one O(18)Li2MgNi2 square pyramid,  an edgeedge with one O(26)Li2MgNi2 square pyramid,  an edgeedge with one O(21)Li2Ni3 square pyramid, and  an edgeedge with one O(8)Li2Ni3 square pyramid. In the twentieth O site, O(20) is bonded in a rectangular see-saw-like geometry to one Li(6), one Mg(1), one Ni(10), and one Ni(6) atom. In the twenty-first O site, O(21) is bonded to one Li(4), one Li(6), one Ni(12), one Ni(8), and one Ni(9) atom to form OLi2Ni3 square pyramids that share  a cornercorner with one O(26)Li2MgNi2 square pyramid,  a cornercorner with one O(16)Li2Ni3 square pyramid,  a cornercorner with one O(4)Li2Ni3 square pyramid,  an edgeedge with one O(14)Li2Ni3 square pyramid,  an edgeedge with one O(19)Li2Ni3 square pyramid,  an edgeedge with one O(23)Li2Ni3 square pyramid, and  an edgeedge with one O(22)LiNi3 trigonal pyramid. In the twenty-second O site, O(22) is bonded to one Li(1), one Ni(11), one Ni(12), and one Ni(8) atom to form OLiNi3 trigonal pyramids that share  a cornercorner with one O(18)Li2MgNi2 square pyramid,  a cornercorner with one O(14)Li2Ni3 square pyramid,  a cornercorner with one O(19)Li2Ni3 square pyramid,  a cornercorner with one O(23)Li2Ni3 square pyramid,  a cornercorner with one O(5)Li2Ni3 square pyramid,  an edgeedge with one O(26)Li2MgNi2 square pyramid,  an edgeedge with one O(21)Li2Ni3 square pyramid, and  an edgeedge with one O(4)Li2Ni3 square pyramid. In the twenty-third O site, O(23) is bonded to one Li(1), one Li(6), one Ni(1), one Ni(10), and one Ni(9) atom to form OLi2Ni3 square pyramids that share  a cornercorner with one O(14)Li2Ni3 square pyramid,  a cornercorner with one O(19)Li2Ni3 square pyramid,  a cornercorner with one O(4)Li2Ni3 square pyramid,  a cornercorner with one O(22)LiNi3 trigonal pyramid,  an edgeedge with one O(26)Li2MgNi2 square pyramid,  an edgeedge with one O(16)Li2Ni3 square pyramid,  an edgeedge with one O(21)Li2Ni3 square pyramid, and  an edgeedge with one O(5)Li2Ni3 square pyramid. In the twenty-fourth O site, O(24) is bonded in a rectangular see-saw-like geometry to one Li(5), one Ni(1), one Ni(12), and one Ni(9) atom. In the twenty-fifth O site, O(25) is bonded in a rectangular see-saw-like geometry to one Li(5), one Ni(11), one Ni(12), and one Ni(3) atom. In the twenty-sixth O site, O(26) is bonded to one Li(1), one Li(6), one Mg(1), one Ni(11), and one Ni(3) atom to form OLi2MgNi2 square pyramids that share  a cornercorner with one O(21)Li2Ni3 square pyramid,  a cornercorner with one O(5)Li2Ni3 square pyramid,  an edgeedge with one O(18)Li2MgNi2 square pyramid,  an edgeedge with one O(19)Li2Ni3 square pyramid,  an edgeedge with one O(23)Li2Ni3 square pyramid,  an edgeedge with one O(4)Li2Ni3 square pyramid, and  an edgeedge with one O(22)LiNi3 trigonal pyramid. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li6Mg(Ni6O13)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.486
_cell_length_b   7.683
_cell_length_c   8.128
_cell_angle_alpha   78.068
_cell_angle_beta   75.358
_cell_angle_gamma   86.617
_symmetry_Int_Tables_number   1
_cell_volume   442.534
_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
  Li  Li0  1  0.976  0.992  0.494  1.0
  Li  Li1  1  0.396  0.933  0.437  1.0
  Li  Li2  1  0.531  0.686  0.177  1.0
  Li  Li3  1  0.436  0.316  0.812  1.0
  Li  Li4  1  0.946  0.612  0.110  1.0
  Li  Li5  1  0.854  0.250  0.747  1.0
  Mg  Mg6  1  0.005  0.001  0.002  1.0
  Ni  Ni7  1  0.077  0.385  0.382  1.0
  Ni  Ni8  1  0.234  0.152  0.155  1.0
  Ni  Ni9  1  0.153  0.773  0.768  1.0
  Ni  Ni10  1  0.303  0.544  0.538  1.0
  Ni  Ni11  1  0.462  0.307  0.309  1.0
  Ni  Ni12  1  0.618  0.069  0.080  1.0
  Ni  Ni13  1  0.387  0.922  0.921  1.0
  Ni  Ni14  1  0.537  0.694  0.690  1.0
  Ni  Ni15  1  0.692  0.461  0.462  1.0
  Ni  Ni16  1  0.847  0.232  0.232  1.0
  Ni  Ni17  1  0.771  0.844  0.843  1.0
  Ni  Ni18  1  0.922  0.613  0.615  1.0
  O  O19  1  0.003  0.037  0.240  1.0
  O  O20  1  0.057  0.369  0.162  1.0
  O  O21  1  0.079  0.412  0.607  1.0
  O  O22  1  0.153  0.751  0.542  1.0
  O  O23  1  0.240  0.180  0.381  1.0
  O  O24  1  0.307  0.511  0.311  1.0
  O  O25  1  0.172  0.786  0.988  1.0
  O  O26  1  0.406  0.928  0.149  1.0
  O  O27  1  0.249  0.129  0.928  1.0
  O  O28  1  0.464  0.272  0.085  1.0
  O  O29  1  0.303  0.566  0.761  1.0
  O  O30  1  0.367  0.909  0.698  1.0
  O  O31  1  0.458  0.342  0.536  1.0
  O  O32  1  0.514  0.682  0.467  1.0
  O  O33  1  0.617  0.102  0.306  1.0
  O  O34  1  0.682  0.437  0.237  1.0
  O  O35  1  0.545  0.719  0.913  1.0
  O  O36  1  0.763  0.859  0.072  1.0
  O  O37  1  0.615  0.052  0.853  1.0
  O  O38  1  0.828  0.210  0.010  1.0
  O  O39  1  0.698  0.469  0.685  1.0
  O  O40  1  0.773  0.816  0.619  1.0
  O  O41  1  0.868  0.245  0.456  1.0
  O  O42  1  0.922  0.581  0.374  1.0
  O  O43  1  0.929  0.649  0.855  1.0
  O  O44  1  0.990  0.971  0.758  1.0
[/CIF]
.