Li4MgNi3O8 is Caswellsilverite-derived structured and crystallizes in the triclinic P-1 space group. There are six inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form LiO6 octahedra that share corners with six equivalent Mg(1)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(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, edges with two equivalent Li(2)O6 octahedra, and edges with two equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-12°. In the second Li site, Li(2) is bonded to one O(1), one O(2), one O(5), one O(6), one O(7), and one O(8) atom to form LiO6 octahedra that share corners with six equivalent Ni(1)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(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, edges with two equivalent Li(1)O6 octahedra, and edges with two equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-10°. In the third Li site, Li(3) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(7) atoms to form LiO6 octahedra that share corners with two equivalent Ni(3)O6 octahedra, corners with four equivalent Ni(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with two equivalent Ni(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-7°. In the fourth Li site, Li(4) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(8) atoms to form LiO6 octahedra that share corners with two equivalent Ni(4)O6 octahedra, corners with four equivalent Ni(3)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, edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with two equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-8°. In the fifth Li site, Li(5) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form LiO6 octahedra that share corners with two equivalent Ni(5)O6 octahedra, corners with four equivalent Ni(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with two equivalent Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-7°. In the sixth Li site, Li(6) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form LiO6 octahedra that share corners with two equivalent Ni(2)O6 octahedra, corners with four equivalent Ni(5)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with two equivalent Ni(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-8°. Mg(1) is bonded to one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form MgO6 octahedra that share corners with six equivalent Li(1)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(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, edges with two equivalent Li(2)O6 octahedra, and edges with two equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-12°. There are five inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(1), one O(2), one O(5), one O(6), one O(7), and one O(8) atom to form NiO6 octahedra that share corners with six 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 Li(5)O6 octahedra,  an edgeedge with one Li(6)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, edges with two equivalent Li(1)O6 octahedra, and edges with two equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-10°. In the second Ni site, Ni(2) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(6) atoms to form NiO6 octahedra that share corners with two equivalent Li(6)O6 octahedra, corners with four equivalent Li(5)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with two equivalent Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-6°. In the third Ni site, Ni(3) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(7) atoms to form NiO6 octahedra that share corners with two equivalent Li(3)O6 octahedra, corners with four equivalent Li(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, edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with two equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-8°. In the fourth Ni site, Ni(4) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(8) atoms to form NiO6 octahedra that share corners with two equivalent Li(4)O6 octahedra, corners with four equivalent Li(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with two equivalent Ni(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-6°. In the fifth Ni site, Ni(5) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms to form NiO6 octahedra that share corners with two equivalent Li(5)O6 octahedra, corners with four equivalent Li(6)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with two equivalent Ni(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-8°. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), one Li(4), one Li(5), one Ni(1), one Ni(2), and one Ni(3) atom to form OLi3Ni3 octahedra that share corners with two equivalent O(2)Li3Ni3 octahedra, corners with four equivalent O(1)Li3Ni3 octahedra, edges with two equivalent O(5)Li3MgNi2 octahedra, edges with two equivalent O(6)Li3MgNi2 octahedra, edges with two equivalent O(7)Li3MgNi2 octahedra, edges with two equivalent O(8)Li3MgNi2 octahedra, and edges with four equivalent O(3)Li3MgNi2 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the second O site, O(2) is bonded to one Li(2), one Li(3), one Li(6), one Ni(1), one Ni(4), and one Ni(5) atom to form OLi3Ni3 octahedra that share corners with two equivalent O(1)Li3Ni3 octahedra, corners with four equivalent O(2)Li3Ni3 octahedra, edges with two equivalent O(5)Li3MgNi2 octahedra, edges with two equivalent O(6)Li3MgNi2 octahedra, edges with two equivalent O(7)Li3MgNi2 octahedra, edges with two equivalent O(8)Li3MgNi2 octahedra, and edges with four equivalent O(4)Li3MgNi2 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the third O site, O(3) is bonded to one Li(1), one Li(4), one Li(5), one Mg(1), one Ni(2), and one Ni(3) atom to form OLi3MgNi2 octahedra that share corners with two equivalent O(4)Li3MgNi2 octahedra, corners with four equivalent O(3)Li3MgNi2 octahedra, edges with two equivalent O(5)Li3MgNi2 octahedra, edges with two equivalent O(6)Li3MgNi2 octahedra, edges with two equivalent O(7)Li3MgNi2 octahedra, edges with two equivalent O(8)Li3MgNi2 octahedra, and edges with four equivalent O(1)Li3Ni3 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the fourth O site, O(4) is bonded to one Li(1), one Li(3), one Li(6), one Mg(1), one Ni(4), and one Ni(5) atom to form OLi3MgNi2 octahedra that share corners with two equivalent O(3)Li3MgNi2 octahedra, corners with four equivalent O(4)Li3MgNi2 octahedra, edges with two equivalent O(5)Li3MgNi2 octahedra, edges with two equivalent O(6)Li3MgNi2 octahedra, edges with two equivalent O(7)Li3MgNi2 octahedra, edges with two equivalent O(8)Li3MgNi2 octahedra, and edges with four equivalent O(2)Li3Ni3 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the fifth O site, O(5) is bonded to one Li(1), one Li(2), one Li(5), one Mg(1), one Ni(1), and one Ni(5) atom to form OLi3MgNi2 octahedra that share corners with two equivalent O(5)Li3MgNi2 octahedra, corners with four equivalent O(6)Li3MgNi2 octahedra, edges with two equivalent O(3)Li3MgNi2 octahedra, edges with two equivalent O(4)Li3MgNi2 octahedra, edges with two equivalent O(7)Li3MgNi2 octahedra, edges with two equivalent O(8)Li3MgNi2 octahedra, edges with two equivalent O(1)Li3Ni3 octahedra, and edges with two equivalent O(2)Li3Ni3 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the sixth O site, O(6) is bonded to one Li(1), one Li(2), one Li(6), one Mg(1), one Ni(1), and one Ni(2) atom to form OLi3MgNi2 octahedra that share corners with two equivalent O(6)Li3MgNi2 octahedra, corners with four equivalent O(5)Li3MgNi2 octahedra, edges with two equivalent O(3)Li3MgNi2 octahedra, edges with two equivalent O(4)Li3MgNi2 octahedra, edges with two equivalent O(7)Li3MgNi2 octahedra, edges with two equivalent O(8)Li3MgNi2 octahedra, edges with two equivalent O(1)Li3Ni3 octahedra, and edges with two equivalent O(2)Li3Ni3 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the seventh O site, O(7) is bonded to one Li(1), one Li(2), one Li(3), one Mg(1), one Ni(1), and one Ni(3) atom to form OLi3MgNi2 octahedra that share corners with two equivalent O(7)Li3MgNi2 octahedra, corners with four equivalent O(8)Li3MgNi2 octahedra, edges with two equivalent O(3)Li3MgNi2 octahedra, edges with two equivalent O(4)Li3MgNi2 octahedra, edges with two equivalent O(5)Li3MgNi2 octahedra, edges with two equivalent O(6)Li3MgNi2 octahedra, edges with two equivalent O(1)Li3Ni3 octahedra, and edges with two equivalent O(2)Li3Ni3 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the eighth O site, O(8) is bonded to one Li(1), one Li(2), one Li(4), one Mg(1), one Ni(1), and one Ni(4) atom to form OLi3MgNi2 octahedra that share corners with two equivalent O(8)Li3MgNi2 octahedra, corners with four equivalent O(7)Li3MgNi2 octahedra, edges with two equivalent O(3)Li3MgNi2 octahedra, edges with two equivalent O(4)Li3MgNi2 octahedra, edges with two equivalent O(5)Li3MgNi2 octahedra, edges with two equivalent O(6)Li3MgNi2 octahedra, edges with two equivalent O(1)Li3Ni3 octahedra, and edges with two equivalent O(2)Li3Ni3 octahedra. The corner-sharing octahedral tilt angles range from 0-2°.
Li4MgNi3O8 is Caswellsilverite-derived structured and crystallizes in the triclinic P-1 space group. There are six inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form LiO6 octahedra that share corners with six equivalent Mg(1)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(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, edges with two equivalent Li(2)O6 octahedra, and edges with two equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-12°. The Li(1)-O(3) bond length is 2.10 Å. The Li(1)-O(4) bond length is 2.09 Å. The Li(1)-O(5) bond length is 2.07 Å. The Li(1)-O(6) bond length is 2.07 Å. The Li(1)-O(7) bond length is 2.07 Å. The Li(1)-O(8) bond length is 2.08 Å. In the second Li site, Li(2) is bonded to one O(1), one O(2), one O(5), one O(6), one O(7), and one O(8) atom to form LiO6 octahedra that share corners with six equivalent Ni(1)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(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, edges with two equivalent Li(1)O6 octahedra, and edges with two equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-10°. The Li(2)-O(1) bond length is 2.04 Å. The Li(2)-O(2) bond length is 2.04 Å. The Li(2)-O(5) bond length is 2.18 Å. The Li(2)-O(6) bond length is 2.16 Å. The Li(2)-O(7) bond length is 2.19 Å. The Li(2)-O(8) bond length is 2.16 Å. In the third Li site, Li(3) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(7) atoms to form LiO6 octahedra that share corners with two equivalent Ni(3)O6 octahedra, corners with four equivalent Ni(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with two equivalent Ni(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-7°. Both Li(3)-O(2) bond lengths are 2.19 Å. Both Li(3)-O(4) bond lengths are 2.19 Å. Both Li(3)-O(7) bond lengths are 2.18 Å. In the fourth Li site, Li(4) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(8) atoms to form LiO6 octahedra that share corners with two equivalent Ni(4)O6 octahedra, corners with four equivalent Ni(3)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, edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with two equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-8°. Both Li(4)-O(1) bond lengths are 2.00 Å. Both Li(4)-O(3) bond lengths are 2.17 Å. Both Li(4)-O(8) bond lengths are 2.25 Å. In the fifth Li site, Li(5) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form LiO6 octahedra that share corners with two equivalent Ni(5)O6 octahedra, corners with four equivalent Ni(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with two equivalent Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-7°. Both Li(5)-O(1) bond lengths are 2.19 Å. Both Li(5)-O(3) bond lengths are 2.19 Å. Both Li(5)-O(5) bond lengths are 2.19 Å. In the sixth Li site, Li(6) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form LiO6 octahedra that share corners with two equivalent Ni(2)O6 octahedra, corners with four equivalent Ni(5)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with two equivalent Ni(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-8°. Both Li(6)-O(2) bond lengths are 2.01 Å. Both Li(6)-O(4) bond lengths are 2.16 Å. Both Li(6)-O(6) bond lengths are 2.25 Å. Mg(1) is bonded to one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form MgO6 octahedra that share corners with six equivalent Li(1)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(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, edges with two equivalent Li(2)O6 octahedra, and edges with two equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-12°. The Mg(1)-O(3) bond length is 2.06 Å. The Mg(1)-O(4) bond length is 2.06 Å. The Mg(1)-O(5) bond length is 2.04 Å. The Mg(1)-O(6) bond length is 2.04 Å. The Mg(1)-O(7) bond length is 2.04 Å. The Mg(1)-O(8) bond length is 2.04 Å. There are five inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(1), one O(2), one O(5), one O(6), one O(7), and one O(8) atom to form NiO6 octahedra that share corners with six 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 Li(5)O6 octahedra,  an edgeedge with one Li(6)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, edges with two equivalent Li(1)O6 octahedra, and edges with two equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-10°. The Ni(1)-O(1) bond length is 2.11 Å. The Ni(1)-O(2) bond length is 2.11 Å. The Ni(1)-O(5) bond length is 1.93 Å. The Ni(1)-O(6) bond length is 1.94 Å. The Ni(1)-O(7) bond length is 1.93 Å. The Ni(1)-O(8) bond length is 1.93 Å. In the second Ni site, Ni(2) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(6) atoms to form NiO6 octahedra that share corners with two equivalent Li(6)O6 octahedra, corners with four equivalent Li(5)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with two equivalent Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-6°. Both Ni(2)-O(1) bond lengths are 1.91 Å. Both Ni(2)-O(3) bond lengths are 1.91 Å. Both Ni(2)-O(6) bond lengths are 1.90 Å. In the third Ni site, Ni(3) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(7) atoms to form NiO6 octahedra that share corners with two equivalent Li(3)O6 octahedra, corners with four equivalent Li(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, edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with two equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-8°. Both Ni(3)-O(1) bond lengths are 2.10 Å. Both Ni(3)-O(3) bond lengths are 1.94 Å. Both Ni(3)-O(7) bond lengths are 1.97 Å. In the fourth Ni site, Ni(4) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(8) atoms to form NiO6 octahedra that share corners with two equivalent Li(4)O6 octahedra, corners with four equivalent Li(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with two equivalent Ni(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-6°. Both Ni(4)-O(2) bond lengths are 1.91 Å. Both Ni(4)-O(4) bond lengths are 1.91 Å. Both Ni(4)-O(8) bond lengths are 1.90 Å. In the fifth Ni site, Ni(5) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms to form NiO6 octahedra that share corners with two equivalent Li(5)O6 octahedra, corners with four equivalent Li(6)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with two equivalent Ni(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-8°. Both Ni(5)-O(2) bond lengths are 2.10 Å. Both Ni(5)-O(4) bond lengths are 1.95 Å. Both Ni(5)-O(5) bond lengths are 1.96 Å. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), one Li(4), one Li(5), one Ni(1), one Ni(2), and one Ni(3) atom to form OLi3Ni3 octahedra that share corners with two equivalent O(2)Li3Ni3 octahedra, corners with four equivalent O(1)Li3Ni3 octahedra, edges with two equivalent O(5)Li3MgNi2 octahedra, edges with two equivalent O(6)Li3MgNi2 octahedra, edges with two equivalent O(7)Li3MgNi2 octahedra, edges with two equivalent O(8)Li3MgNi2 octahedra, and edges with four equivalent O(3)Li3MgNi2 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the second O site, O(2) is bonded to one Li(2), one Li(3), one Li(6), one Ni(1), one Ni(4), and one Ni(5) atom to form OLi3Ni3 octahedra that share corners with two equivalent O(1)Li3Ni3 octahedra, corners with four equivalent O(2)Li3Ni3 octahedra, edges with two equivalent O(5)Li3MgNi2 octahedra, edges with two equivalent O(6)Li3MgNi2 octahedra, edges with two equivalent O(7)Li3MgNi2 octahedra, edges with two equivalent O(8)Li3MgNi2 octahedra, and edges with four equivalent O(4)Li3MgNi2 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the third O site, O(3) is bonded to one Li(1), one Li(4), one Li(5), one Mg(1), one Ni(2), and one Ni(3) atom to form OLi3MgNi2 octahedra that share corners with two equivalent O(4)Li3MgNi2 octahedra, corners with four equivalent O(3)Li3MgNi2 octahedra, edges with two equivalent O(5)Li3MgNi2 octahedra, edges with two equivalent O(6)Li3MgNi2 octahedra, edges with two equivalent O(7)Li3MgNi2 octahedra, edges with two equivalent O(8)Li3MgNi2 octahedra, and edges with four equivalent O(1)Li3Ni3 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the fourth O site, O(4) is bonded to one Li(1), one Li(3), one Li(6), one Mg(1), one Ni(4), and one Ni(5) atom to form OLi3MgNi2 octahedra that share corners with two equivalent O(3)Li3MgNi2 octahedra, corners with four equivalent O(4)Li3MgNi2 octahedra, edges with two equivalent O(5)Li3MgNi2 octahedra, edges with two equivalent O(6)Li3MgNi2 octahedra, edges with two equivalent O(7)Li3MgNi2 octahedra, edges with two equivalent O(8)Li3MgNi2 octahedra, and edges with four equivalent O(2)Li3Ni3 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the fifth O site, O(5) is bonded to one Li(1), one Li(2), one Li(5), one Mg(1), one Ni(1), and one Ni(5) atom to form OLi3MgNi2 octahedra that share corners with two equivalent O(5)Li3MgNi2 octahedra, corners with four equivalent O(6)Li3MgNi2 octahedra, edges with two equivalent O(3)Li3MgNi2 octahedra, edges with two equivalent O(4)Li3MgNi2 octahedra, edges with two equivalent O(7)Li3MgNi2 octahedra, edges with two equivalent O(8)Li3MgNi2 octahedra, edges with two equivalent O(1)Li3Ni3 octahedra, and edges with two equivalent O(2)Li3Ni3 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the sixth O site, O(6) is bonded to one Li(1), one Li(2), one Li(6), one Mg(1), one Ni(1), and one Ni(2) atom to form OLi3MgNi2 octahedra that share corners with two equivalent O(6)Li3MgNi2 octahedra, corners with four equivalent O(5)Li3MgNi2 octahedra, edges with two equivalent O(3)Li3MgNi2 octahedra, edges with two equivalent O(4)Li3MgNi2 octahedra, edges with two equivalent O(7)Li3MgNi2 octahedra, edges with two equivalent O(8)Li3MgNi2 octahedra, edges with two equivalent O(1)Li3Ni3 octahedra, and edges with two equivalent O(2)Li3Ni3 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the seventh O site, O(7) is bonded to one Li(1), one Li(2), one Li(3), one Mg(1), one Ni(1), and one Ni(3) atom to form OLi3MgNi2 octahedra that share corners with two equivalent O(7)Li3MgNi2 octahedra, corners with four equivalent O(8)Li3MgNi2 octahedra, edges with two equivalent O(3)Li3MgNi2 octahedra, edges with two equivalent O(4)Li3MgNi2 octahedra, edges with two equivalent O(5)Li3MgNi2 octahedra, edges with two equivalent O(6)Li3MgNi2 octahedra, edges with two equivalent O(1)Li3Ni3 octahedra, and edges with two equivalent O(2)Li3Ni3 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the eighth O site, O(8) is bonded to one Li(1), one Li(2), one Li(4), one Mg(1), one Ni(1), and one Ni(4) atom to form OLi3MgNi2 octahedra that share corners with two equivalent O(8)Li3MgNi2 octahedra, corners with four equivalent O(7)Li3MgNi2 octahedra, edges with two equivalent O(3)Li3MgNi2 octahedra, edges with two equivalent O(4)Li3MgNi2 octahedra, edges with two equivalent O(5)Li3MgNi2 octahedra, edges with two equivalent O(6)Li3MgNi2 octahedra, edges with two equivalent O(1)Li3Ni3 octahedra, and edges with two equivalent O(2)Li3Ni3 octahedra. The corner-sharing octahedral tilt angles range from 0-2°.