Materials Data on CsSiBiS4 by Materials Project
Abstract
CsSiBiS4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Cs1+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Cs–S bond distances ranging from 3.52–3.86 Å. Si4+ is bonded in a tetrahedral geometry to four S2- atoms. There are a spread of Si–S bond distances ranging from 2.12–2.18 Å. Bi3+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of Bi–S bond distances ranging from 2.72–3.55 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a 1-coordinate geometry to two equivalent Cs1+, one Si4+, and two equivalent Bi3+ atoms. In the second S2- site, S2- is bonded in a 4-coordinate geometry to one Cs1+, one Si4+, and two equivalent Bi3+ atoms. In the third S2- site, S2- is bonded in a 1-coordinate geometry to two equivalent Cs1+, one Si4+, and two equivalent Bi3+ atoms. In the fourth S2- site, S2- is bonded in a 1-coordinate geometry to three equivalent Cs1+, one Si4+, and one Bi3+ atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-558426
- 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; CsSiBiS4; Bi-Cs-S-Si
- OSTI Identifier:
- 1270331
- DOI:
- https://doi.org/10.17188/1270331
Citation Formats
The Materials Project. Materials Data on CsSiBiS4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1270331.
The Materials Project. Materials Data on CsSiBiS4 by Materials Project. United States. doi:https://doi.org/10.17188/1270331
The Materials Project. 2020.
"Materials Data on CsSiBiS4 by Materials Project". United States. doi:https://doi.org/10.17188/1270331. https://www.osti.gov/servlets/purl/1270331. Pub date:Tue Jul 21 00:00:00 EDT 2020
@article{osti_1270331,
title = {Materials Data on CsSiBiS4 by Materials Project},
author = {The Materials Project},
abstractNote = {CsSiBiS4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Cs1+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Cs–S bond distances ranging from 3.52–3.86 Å. Si4+ is bonded in a tetrahedral geometry to four S2- atoms. There are a spread of Si–S bond distances ranging from 2.12–2.18 Å. Bi3+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of Bi–S bond distances ranging from 2.72–3.55 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a 1-coordinate geometry to two equivalent Cs1+, one Si4+, and two equivalent Bi3+ atoms. In the second S2- site, S2- is bonded in a 4-coordinate geometry to one Cs1+, one Si4+, and two equivalent Bi3+ atoms. In the third S2- site, S2- is bonded in a 1-coordinate geometry to two equivalent Cs1+, one Si4+, and two equivalent Bi3+ atoms. In the fourth S2- site, S2- is bonded in a 1-coordinate geometry to three equivalent Cs1+, one Si4+, and one Bi3+ atom.},
doi = {10.17188/1270331},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Tue Jul 21 00:00:00 EDT 2020},
month = {Tue Jul 21 00:00:00 EDT 2020}
}