Materials Data on V2CuS4 by Materials Project
CuV2S4 is Spinel structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. V+3.50+ is bonded to six equivalent S2- atoms to form VS6 octahedra that share corners with six equivalent CuS4 tetrahedra and edges with six equivalent VS6 octahedra. All V–S bond lengths are 2.41 Å. Cu1+ is bonded to four equivalent S2- atoms to form CuS4 tetrahedra that share corners with twelve equivalent VS6 octahedra. The corner-sharing octahedral tilt angles are 57°. All Cu–S bond lengths are 2.24 Å. S2- is bonded in a distorted rectangular see-saw-like geometry to three equivalent V+3.50+ and one Cu1+ atom.
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