Ca2NiBiO6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. Ca(1) is bonded to twelve equivalent O(1) atoms to form CaO12 cuboctahedra that share corners with twelve equivalent Ca(1)O12 cuboctahedra, faces with six equivalent Ca(1)O12 cuboctahedra, faces with four equivalent Ni(1)O6 octahedra, and faces with four equivalent Bi(1)O6 octahedra. Ni(1) is bonded to six equivalent O(1) atoms to form NiO6 octahedra that share corners with six equivalent Bi(1)O6 octahedra and faces with eight equivalent Ca(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. Bi(1) is bonded to six equivalent O(1) atoms to form BiO6 octahedra that share corners with six equivalent Ni(1)O6 octahedra and faces with eight equivalent Ca(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. O(1) is bonded to four equivalent Ca(1), one Ni(1), and one Bi(1) atom to form a mixture of distorted corner, edge, and face-sharing OCa4NiBi octahedra. The corner-sharing octahedral tilt angles range from 0-60°.
Ca2NiBiO6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. Ca(1) is bonded to twelve equivalent O(1) atoms to form CaO12 cuboctahedra that share corners with twelve equivalent Ca(1)O12 cuboctahedra, faces with six equivalent Ca(1)O12 cuboctahedra, faces with four equivalent Ni(1)O6 octahedra, and faces with four equivalent Bi(1)O6 octahedra. All Ca(1)-O(1) bond lengths are 2.84 Å. Ni(1) is bonded to six equivalent O(1) atoms to form NiO6 octahedra that share corners with six equivalent Bi(1)O6 octahedra and faces with eight equivalent Ca(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. All Ni(1)-O(1) bond lengths are 1.94 Å. Bi(1) is bonded to six equivalent O(1) atoms to form BiO6 octahedra that share corners with six equivalent Ni(1)O6 octahedra and faces with eight equivalent Ca(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. All Bi(1)-O(1) bond lengths are 2.08 Å. O(1) is bonded to four equivalent Ca(1), one Ni(1), and one Bi(1) atom to form a mixture of distorted corner, edge, and face-sharing OCa4NiBi octahedra. The corner-sharing octahedral tilt angles range from 0-60°.