Li2Ni3BiO8 is Spinel-derived structured and crystallizes in the triclinic P-1 space group. Li(1) is bonded to one O(1) and three O(2,2,2) atoms to form LiO4 tetrahedra that share corners with three equivalent Bi(1)O6 octahedra and corners with nine Ni(1,1,1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-64°. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to two equivalent O(1) and four O(2,2) atoms to form NiO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra; edges with two equivalent Bi(1)O6 octahedra; and edges with four Ni(1,1)O6 octahedra. In the second Ni site, Ni(1) is bonded to two equivalent O(1) and four O(2,2) atoms to form NiO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra; edges with two equivalent Bi(1)O6 octahedra; and edges with four Ni(1,1)O6 octahedra. In the third Ni site, Ni(1) is bonded to two equivalent O(1) and four O(2,2) atoms to form NiO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra; edges with two equivalent Bi(1)O6 octahedra; and edges with four Ni(1,1)O6 octahedra. Bi(1) is bonded to six O(2,2,2) atoms to form BiO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra and edges with six Ni(1,1,1)O6 octahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Li(1) and three Ni(1,1,1) atoms to form corner-sharing OLiNi3 tetrahedra. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Li(1); two Ni(1,1); and one Bi(1) atom. In the third O site, O(2) is bonded in a rectangular see-saw-like geometry to one Li(1); two Ni(1,1); and one Bi(1) atom. In the fourth O site, O(2) is bonded in a rectangular see-saw-like geometry to one Li(1); two Ni(1,1); and one Bi(1) atom.
Li2Ni3BiO8 is Spinel-derived structured and crystallizes in the triclinic P-1 space group. Li(1) is bonded to one O(1) and three O(2,2,2) atoms to form LiO4 tetrahedra that share corners with three equivalent Bi(1)O6 octahedra and corners with nine Ni(1,1,1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-64°. The Li(1)-O(1) bond length is 2.28 Å. All Li(1)-O(2,2,2) bond lengths are 1.95 Å. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to two equivalent O(1) and four O(2,2) atoms to form NiO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra; edges with two equivalent Bi(1)O6 octahedra; and edges with four Ni(1,1)O6 octahedra. Both Ni(1)-O(1) bond lengths are 1.95 Å. There are two shorter (1.92 Å) and two longer (2.15 Å) Ni(1)-O(2,2) bond lengths. In the second Ni site, Ni(1) is bonded to two equivalent O(1) and four O(2,2) atoms to form NiO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra; edges with two equivalent Bi(1)O6 octahedra; and edges with four Ni(1,1)O6 octahedra. Both Ni(1)-O(1) bond lengths are 1.94 Å. There are two shorter (1.92 Å) and two longer (2.16 Å) Ni(1)-O(2,2) bond lengths. In the third Ni site, Ni(1) is bonded to two equivalent O(1) and four O(2,2) atoms to form NiO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra; edges with two equivalent Bi(1)O6 octahedra; and edges with four Ni(1,1)O6 octahedra. Both Ni(1)-O(1) bond lengths are 1.95 Å. There are two shorter (1.92 Å) and two longer (2.15 Å) Ni(1)-O(2,2) bond lengths. Bi(1) is bonded to six O(2,2,2) atoms to form BiO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra and edges with six Ni(1,1,1)O6 octahedra. All Bi(1)-O(2,2,2) bond lengths are 2.14 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Li(1) and three Ni(1,1,1) atoms to form corner-sharing OLiNi3 tetrahedra. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Li(1); two Ni(1,1); and one Bi(1) atom. In the third O site, O(2) is bonded in a rectangular see-saw-like geometry to one Li(1); two Ni(1,1); and one Bi(1) atom. In the fourth O site, O(2) is bonded in a rectangular see-saw-like geometry to one Li(1); two Ni(1,1); and one Bi(1) atom.