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Title: Materials Data on KBiS2 by Materials Project

Abstract

KBiS2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. K1+ is bonded to six equivalent S2- atoms to form KS6 octahedra that share corners with six equivalent BiS6 octahedra, edges with six equivalent KS6 octahedra, and edges with six equivalent BiS6 octahedra. The corner-sharing octahedral tilt angles are 9°. All K–S bond lengths are 3.24 Å. Bi3+ is bonded to six equivalent S2- atoms to form BiS6 octahedra that share corners with six equivalent KS6 octahedra, edges with six equivalent KS6 octahedra, and edges with six equivalent BiS6 octahedra. The corner-sharing octahedral tilt angles are 9°. All Bi–S bond lengths are 2.87 Å. S2- is bonded to three equivalent K1+ and three equivalent Bi3+ atoms to form a mixture of corner and edge-sharing SK3Bi3 octahedra. The corner-sharing octahedral tilt angles are 0°.

Authors:
Publication Date:
Other Number(s):
mp-1223443
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; KBiS2; Bi-K-S
OSTI Identifier:
1663432
DOI:
https://doi.org/10.17188/1663432

Citation Formats

The Materials Project. Materials Data on KBiS2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1663432.
The Materials Project. Materials Data on KBiS2 by Materials Project. United States. doi:https://doi.org/10.17188/1663432
The Materials Project. 2020. "Materials Data on KBiS2 by Materials Project". United States. doi:https://doi.org/10.17188/1663432. https://www.osti.gov/servlets/purl/1663432. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1663432,
title = {Materials Data on KBiS2 by Materials Project},
author = {The Materials Project},
abstractNote = {KBiS2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. K1+ is bonded to six equivalent S2- atoms to form KS6 octahedra that share corners with six equivalent BiS6 octahedra, edges with six equivalent KS6 octahedra, and edges with six equivalent BiS6 octahedra. The corner-sharing octahedral tilt angles are 9°. All K–S bond lengths are 3.24 Å. Bi3+ is bonded to six equivalent S2- atoms to form BiS6 octahedra that share corners with six equivalent KS6 octahedra, edges with six equivalent KS6 octahedra, and edges with six equivalent BiS6 octahedra. The corner-sharing octahedral tilt angles are 9°. All Bi–S bond lengths are 2.87 Å. S2- is bonded to three equivalent K1+ and three equivalent Bi3+ atoms to form a mixture of corner and edge-sharing SK3Bi3 octahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1663432},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}