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.
- Research Organization:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Contributing Organization:
- MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- OSTI ID:
- 1312596
- Report Number(s):
- mp-8704
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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