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Materials Data on V4(CuO4)3 by Materials Project

V4(CuO4)3 crystallizes in the cubic Im-3 space group. The structure is three-dimensional. V5+ is bonded to six equivalent O2- atoms to form corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles are 38°. All V–O bond lengths are 1.92 Å. Cu+1.33+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Cu–O bond lengths are 1.95 Å. O2- is bonded in a 3-coordinate geometry to two equivalent V5+ and one Cu+1.33+ atom.

36 MATERIALS SCIENCE↗