Materials Data on K3SbSe4 by Materials Project
K3SbSe4 crystallizes in the trigonal R3c space group. The structure is three-dimensional. K1+ is bonded in a 6-coordinate geometry to six Se2- atoms. There are a spread of K–Se bond distances ranging from 3.33–3.74 Å. Sb5+ is bonded in a tetrahedral geometry to four Se2- atoms. There are one shorter (2.51 Å) and three longer (2.53 Å) Sb–Se bond lengths. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 6-coordinate geometry to five equivalent K1+ and one Sb5+ atom. In the second Se2- site, Se2- is bonded in a trigonal pyramidal geometry to three equivalent K1+ and one Sb5+ atom.
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