Li7Ni5O12 is Caswellsilverite-like structured and crystallizes in the triclinic P-1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one O(3), one O(5), one O(6), and two equivalent O(1) atoms to form LiO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra, corners with three equivalent Ni(2)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and edges with three equivalent Li(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-10°. In the second Li site, Li(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form LiO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with four equivalent Li(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and edges with two equivalent Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles are 10°. In the third Li site, Li(3) is bonded to one O(5), one O(6), two equivalent O(2), and two equivalent O(4) atoms to form LiO6 octahedra that share  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Ni(3)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)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 4-10°. In the fourth Li site, Li(4) is bonded to one O(1), one O(4), one O(5), one O(6), and two equivalent O(3) atoms to form LiO6 octahedra that share  a cornercorner with one Ni(3)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra, corners with three equivalent Ni(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and edges with three equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-9°. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(1), one O(3), one O(4), one O(6), and two equivalent O(5) atoms to form NiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra, corners with two equivalent Li(1)O6 octahedra, corners with three equivalent Li(4)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, and edges with three equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-8°. In the second Ni site, Ni(2) is bonded to one O(1), one O(2), one O(3), one O(5), and two equivalent O(6) atoms to form NiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra, corners with two equivalent Li(4)O6 octahedra, corners with three equivalent Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, and edges with three equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-9°. In the third Ni site, Ni(3) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) 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(3)O6 octahedra, edges with two equivalent Li(4)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 2-6°. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), one Li(4), two equivalent Li(1), one Ni(1), and one Ni(2) atom to form OLi4Ni2 octahedra that share  a cornercorner with one O(1)Li4Ni2 octahedra,  a cornercorner with one O(2)Li4Ni2 octahedra, corners with two equivalent O(5)Li3Ni3 octahedra, corners with two equivalent O(6)Li3Ni3 octahedra,  an edgeedge with one O(1)Li4Ni2 octahedra, edges with two equivalent O(5)Li3Ni3 octahedra, edges with two equivalent O(6)Li3Ni3 octahedra, edges with two equivalent O(2)Li4Ni2 octahedra, edges with two equivalent O(4)Li4Ni2 octahedra, and edges with three equivalent O(3)Li3Ni3 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. In the second O site, O(2) is bonded to one Li(1), one Li(2), two equivalent Li(3), one Ni(2), and one Ni(3) atom to form OLi4Ni2 octahedra that share  a cornercorner with one O(6)Li3Ni3 octahedra,  a cornercorner with one O(1)Li4Ni2 octahedra, corners with two equivalent O(2)Li4Ni2 octahedra, corners with two equivalent O(4)Li4Ni2 octahedra,  an edgeedge with one O(2)Li4Ni2 octahedra, edges with two equivalent O(3)Li3Ni3 octahedra, edges with two equivalent O(5)Li3Ni3 octahedra, edges with two equivalent O(6)Li3Ni3 octahedra, edges with two equivalent O(1)Li4Ni2 octahedra, and edges with three equivalent O(4)Li4Ni2 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the third O site, O(3) is bonded to one Li(1), two equivalent Li(4), one Ni(1), one Ni(2), and one Ni(3) atom to form OLi3Ni3 octahedra that share  a cornercorner with one O(3)Li3Ni3 octahedra,  a cornercorner with one O(4)Li4Ni2 octahedra, corners with two equivalent O(5)Li3Ni3 octahedra, corners with two equivalent O(6)Li3Ni3 octahedra,  an edgeedge with one O(3)Li3Ni3 octahedra, edges with two equivalent O(5)Li3Ni3 octahedra, edges with two equivalent O(6)Li3Ni3 octahedra, edges with two equivalent O(2)Li4Ni2 octahedra, edges with two equivalent O(4)Li4Ni2 octahedra, and edges with three equivalent O(1)Li4Ni2 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the fourth O site, O(4) is bonded to one Li(2), one Li(4), two equivalent Li(3), one Ni(1), and one Ni(3) atom to form OLi4Ni2 octahedra that share  a cornercorner with one O(3)Li3Ni3 octahedra,  a cornercorner with one O(5)Li3Ni3 octahedra, corners with two equivalent O(2)Li4Ni2 octahedra, corners with two equivalent O(4)Li4Ni2 octahedra,  an edgeedge with one O(4)Li4Ni2 octahedra, edges with two equivalent O(3)Li3Ni3 octahedra, edges with two equivalent O(5)Li3Ni3 octahedra, edges with two equivalent O(6)Li3Ni3 octahedra, edges with two equivalent O(1)Li4Ni2 octahedra, and edges with three equivalent O(2)Li4Ni2 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the fifth O site, O(5) is bonded to one Li(1), one Li(3), one Li(4), one Ni(2), and two equivalent Ni(1) atoms to form OLi3Ni3 octahedra that share  a cornercorner with one O(6)Li3Ni3 octahedra,  a cornercorner with one O(4)Li4Ni2 octahedra, corners with two equivalent O(3)Li3Ni3 octahedra, corners with two equivalent O(1)Li4Ni2 octahedra,  an edgeedge with one O(5)Li3Ni3 octahedra, edges with two equivalent O(3)Li3Ni3 octahedra, edges with two equivalent O(1)Li4Ni2 octahedra, edges with two equivalent O(2)Li4Ni2 octahedra, edges with two equivalent O(4)Li4Ni2 octahedra, and edges with three equivalent O(6)Li3Ni3 octahedra. The corner-sharing octahedral tilt angles range from 2-4°. In the sixth O site, O(6) is bonded to one Li(1), one Li(3), one Li(4), one Ni(1), and two equivalent Ni(2) atoms to form OLi3Ni3 octahedra that share  a cornercorner with one O(5)Li3Ni3 octahedra,  a cornercorner with one O(2)Li4Ni2 octahedra, corners with two equivalent O(3)Li3Ni3 octahedra, corners with two equivalent O(1)Li4Ni2 octahedra,  an edgeedge with one O(6)Li3Ni3 octahedra, edges with two equivalent O(3)Li3Ni3 octahedra, edges with two equivalent O(1)Li4Ni2 octahedra, edges with two equivalent O(2)Li4Ni2 octahedra, edges with two equivalent O(4)Li4Ni2 octahedra, and edges with three equivalent O(5)Li3Ni3 octahedra. The corner-sharing octahedral tilt angles range from 0-5°.
Li7Ni5O12 is Caswellsilverite-like structured and crystallizes in the triclinic P-1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one O(3), one O(5), one O(6), and two equivalent O(1) atoms to form LiO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra, corners with three equivalent Ni(2)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and edges with three equivalent Li(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-10°. The Li(1)-O(2) bond length is 2.11 Å. The Li(1)-O(3) bond length is 2.05 Å. The Li(1)-O(5) bond length is 2.16 Å. The Li(1)-O(6) bond length is 2.11 Å. There is one shorter (2.01 Å) and one longer (2.14 Å) Li(1)-O(1) bond length. In the second Li site, Li(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form LiO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with four equivalent Li(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and edges with two equivalent Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles are 10°. Both Li(2)-O(1) bond lengths are 2.03 Å. Both Li(2)-O(2) bond lengths are 2.06 Å. Both Li(2)-O(4) bond lengths are 2.06 Å. In the third Li site, Li(3) is bonded to one O(5), one O(6), two equivalent O(2), and two equivalent O(4) atoms to form LiO6 octahedra that share  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Ni(3)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)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 4-10°. The Li(3)-O(5) bond length is 2.11 Å. The Li(3)-O(6) bond length is 2.09 Å. There is one shorter (2.03 Å) and one longer (2.19 Å) Li(3)-O(2) bond length. There is one shorter (2.04 Å) and one longer (2.20 Å) Li(3)-O(4) bond length. In the fourth Li site, Li(4) is bonded to one O(1), one O(4), one O(5), one O(6), and two equivalent O(3) atoms to form LiO6 octahedra that share  a cornercorner with one Ni(3)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra, corners with three equivalent Ni(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and edges with three equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-9°. The Li(4)-O(1) bond length is 2.15 Å. The Li(4)-O(4) bond length is 2.08 Å. The Li(4)-O(5) bond length is 2.16 Å. The Li(4)-O(6) bond length is 2.10 Å. There is one shorter (2.06 Å) and one longer (2.17 Å) Li(4)-O(3) bond length. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(1), one O(3), one O(4), one O(6), and two equivalent O(5) atoms to form NiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra, corners with two equivalent Li(1)O6 octahedra, corners with three equivalent Li(4)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, and edges with three equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-8°. The Ni(1)-O(1) bond length is 1.91 Å. The Ni(1)-O(3) bond length is 2.02 Å. The Ni(1)-O(4) bond length is 1.89 Å. The Ni(1)-O(6) bond length is 2.01 Å. There is one shorter (1.93 Å) and one longer (1.95 Å) Ni(1)-O(5) bond length. In the second Ni site, Ni(2) is bonded to one O(1), one O(2), one O(3), one O(5), and two equivalent O(6) atoms to form NiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra, corners with two equivalent Li(4)O6 octahedra, corners with three equivalent Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, and edges with three equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-9°. The Ni(2)-O(1) bond length is 1.92 Å. The Ni(2)-O(2) bond length is 1.89 Å. The Ni(2)-O(3) bond length is 2.03 Å. The Ni(2)-O(5) bond length is 1.97 Å. There is one shorter (1.91 Å) and one longer (2.03 Å) Ni(2)-O(6) bond length. In the third Ni site, Ni(3) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) 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(3)O6 octahedra, edges with two equivalent Li(4)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 2-6°. Both Ni(3)-O(2) bond lengths are 1.91 Å. Both Ni(3)-O(3) bond lengths are 1.88 Å. Both Ni(3)-O(4) bond lengths are 1.91 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), one Li(4), two equivalent Li(1), one Ni(1), and one Ni(2) atom to form OLi4Ni2 octahedra that share  a cornercorner with one O(1)Li4Ni2 octahedra,  a cornercorner with one O(2)Li4Ni2 octahedra, corners with two equivalent O(5)Li3Ni3 octahedra, corners with two equivalent O(6)Li3Ni3 octahedra,  an edgeedge with one O(1)Li4Ni2 octahedra, edges with two equivalent O(5)Li3Ni3 octahedra, edges with two equivalent O(6)Li3Ni3 octahedra, edges with two equivalent O(2)Li4Ni2 octahedra, edges with two equivalent O(4)Li4Ni2 octahedra, and edges with three equivalent O(3)Li3Ni3 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. In the second O site, O(2) is bonded to one Li(1), one Li(2), two equivalent Li(3), one Ni(2), and one Ni(3) atom to form OLi4Ni2 octahedra that share  a cornercorner with one O(6)Li3Ni3 octahedra,  a cornercorner with one O(1)Li4Ni2 octahedra, corners with two equivalent O(2)Li4Ni2 octahedra, corners with two equivalent O(4)Li4Ni2 octahedra,  an edgeedge with one O(2)Li4Ni2 octahedra, edges with two equivalent O(3)Li3Ni3 octahedra, edges with two equivalent O(5)Li3Ni3 octahedra, edges with two equivalent O(6)Li3Ni3 octahedra, edges with two equivalent O(1)Li4Ni2 octahedra, and edges with three equivalent O(4)Li4Ni2 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the third O site, O(3) is bonded to one Li(1), two equivalent Li(4), one Ni(1), one Ni(2), and one Ni(3) atom to form OLi3Ni3 octahedra that share  a cornercorner with one O(3)Li3Ni3 octahedra,  a cornercorner with one O(4)Li4Ni2 octahedra, corners with two equivalent O(5)Li3Ni3 octahedra, corners with two equivalent O(6)Li3Ni3 octahedra,  an edgeedge with one O(3)Li3Ni3 octahedra, edges with two equivalent O(5)Li3Ni3 octahedra, edges with two equivalent O(6)Li3Ni3 octahedra, edges with two equivalent O(2)Li4Ni2 octahedra, edges with two equivalent O(4)Li4Ni2 octahedra, and edges with three equivalent O(1)Li4Ni2 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the fourth O site, O(4) is bonded to one Li(2), one Li(4), two equivalent Li(3), one Ni(1), and one Ni(3) atom to form OLi4Ni2 octahedra that share  a cornercorner with one O(3)Li3Ni3 octahedra,  a cornercorner with one O(5)Li3Ni3 octahedra, corners with two equivalent O(2)Li4Ni2 octahedra, corners with two equivalent O(4)Li4Ni2 octahedra,  an edgeedge with one O(4)Li4Ni2 octahedra, edges with two equivalent O(3)Li3Ni3 octahedra, edges with two equivalent O(5)Li3Ni3 octahedra, edges with two equivalent O(6)Li3Ni3 octahedra, edges with two equivalent O(1)Li4Ni2 octahedra, and edges with three equivalent O(2)Li4Ni2 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the fifth O site, O(5) is bonded to one Li(1), one Li(3), one Li(4), one Ni(2), and two equivalent Ni(1) atoms to form OLi3Ni3 octahedra that share  a cornercorner with one O(6)Li3Ni3 octahedra,  a cornercorner with one O(4)Li4Ni2 octahedra, corners with two equivalent O(3)Li3Ni3 octahedra, corners with two equivalent O(1)Li4Ni2 octahedra,  an edgeedge with one O(5)Li3Ni3 octahedra, edges with two equivalent O(3)Li3Ni3 octahedra, edges with two equivalent O(1)Li4Ni2 octahedra, edges with two equivalent O(2)Li4Ni2 octahedra, edges with two equivalent O(4)Li4Ni2 octahedra, and edges with three equivalent O(6)Li3Ni3 octahedra. The corner-sharing octahedral tilt angles range from 2-4°. In the sixth O site, O(6) is bonded to one Li(1), one Li(3), one Li(4), one Ni(1), and two equivalent Ni(2) atoms to form OLi3Ni3 octahedra that share  a cornercorner with one O(5)Li3Ni3 octahedra,  a cornercorner with one O(2)Li4Ni2 octahedra, corners with two equivalent O(3)Li3Ni3 octahedra, corners with two equivalent O(1)Li4Ni2 octahedra,  an edgeedge with one O(6)Li3Ni3 octahedra, edges with two equivalent O(3)Li3Ni3 octahedra, edges with two equivalent O(1)Li4Ni2 octahedra, edges with two equivalent O(2)Li4Ni2 octahedra, edges with two equivalent O(4)Li4Ni2 octahedra, and edges with three equivalent O(5)Li3Ni3 octahedra. The corner-sharing octahedral tilt angles range from 0-5°.