V3Mn2NiO8 is Spinel-derived structured and crystallizes in the trigonal R-3m space group. V(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form VO6 octahedra that share corners with six equivalent Mn(1)O4 tetrahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with four equivalent V(1)O6 octahedra. Mn(1) is bonded to one O(1) and three equivalent O(2) atoms to form MnO4 tetrahedra that share corners with three equivalent Ni(1)O6 octahedra and corners with nine equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 58-61°. Ni(1) is bonded to six equivalent O(2) atoms to form NiO6 octahedra that share corners with six equivalent Mn(1)O4 tetrahedra and edges with six equivalent V(1)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded to three equivalent V(1) and one Mn(1) atom to form distorted corner-sharing OMnV3 trigonal pyramids. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to two equivalent V(1), one Mn(1), and one Ni(1) atom.
V3Mn2NiO8 is Spinel-derived structured and crystallizes in the trigonal R-3m space group. V(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form VO6 octahedra that share corners with six equivalent Mn(1)O4 tetrahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with four equivalent V(1)O6 octahedra. Both V(1)-O(1) bond lengths are 2.05 Å. All V(1)-O(2) bond lengths are 2.03 Å. Mn(1) is bonded to one O(1) and three equivalent O(2) atoms to form MnO4 tetrahedra that share corners with three equivalent Ni(1)O6 octahedra and corners with nine equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 58-61°. The Mn(1)-O(1) bond length is 2.09 Å. All Mn(1)-O(2) bond lengths are 2.05 Å. Ni(1) is bonded to six equivalent O(2) atoms to form NiO6 octahedra that share corners with six equivalent Mn(1)O4 tetrahedra and edges with six equivalent V(1)O6 octahedra. All Ni(1)-O(2) bond lengths are 2.11 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded to three equivalent V(1) and one Mn(1) atom to form distorted corner-sharing OMnV3 trigonal pyramids. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to two equivalent V(1), one Mn(1), and one Ni(1) atom.