Materials Data on K2VCuSe2 by Materials Project
K2VCuSe2 crystallizes in the orthorhombic Fddd space group. The structure is two-dimensional and consists of four K2VCuSe2 sheets oriented in the (0, 0, 1) direction. K is bonded in a 2-coordinate geometry to three equivalent Se atoms. There are a spread of K–Se bond distances ranging from 3.01–3.77 Å. V is bonded in a distorted linear geometry to two equivalent Se atoms. Both V–Se bond lengths are 2.42 Å. Cu is bonded in a distorted linear geometry to two equivalent Se atoms. Both Cu–Se bond lengths are 2.37 Å. Se is bonded in a 5-coordinate geometry to three equivalent K, one V, and one Cu atom.
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