Materials Data on KCuSe by Materials Project
KCuSe crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. K1+ is bonded to six equivalent Se2- atoms to form a mixture of distorted edge, corner, and face-sharing KSe6 octahedra. The corner-sharing octahedral tilt angles are 41°. All K–Se bond lengths are 3.45 Å. Cu1+ is bonded in a trigonal planar geometry to three equivalent Se2- atoms. All Cu–Se bond lengths are 2.42 Å. Se2- is bonded in a distorted trigonal planar geometry to six equivalent K1+ and three equivalent Cu1+ atoms.
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