Materials Data on TaCu3S4 by Materials Project
Cu3TaS4 is Sulvanite structured and crystallizes in the cubic P-43m space group. The structure is three-dimensional. Ta5+ is bonded to four equivalent S2- atoms to form TaS4 tetrahedra that share edges with six equivalent CuS4 tetrahedra. All Ta–S bond lengths are 2.32 Å. Cu1+ is bonded to four equivalent S2- atoms to form CuS4 tetrahedra that share corners with eight equivalent CuS4 tetrahedra and edges with two equivalent TaS4 tetrahedra. All Cu–S bond lengths are 2.38 Å. S2- is bonded to one Ta5+ and three equivalent Cu1+ atoms to form a mixture of distorted edge and corner-sharing STaCu3 tetrahedra.
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