Materials Data on Cs(SbS2)2 by Materials Project
Abstract
Cs(SbS2)2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Cs1+ is bonded in a 9-coordinate geometry to nine S+1.75- atoms. There are a spread of Cs–S bond distances ranging from 3.52–3.88 Å. There are two inequivalent Sb3+ sites. In the first Sb3+ site, Sb3+ is bonded in a rectangular see-saw-like geometry to four S+1.75- atoms. There are a spread of Sb–S bond distances ranging from 2.46–2.96 Å. In the second Sb3+ site, Sb3+ is bonded in a distorted rectangular see-saw-like geometry to four S+1.75- atoms. There are a spread of Sb–S bond distances ranging from 2.44–2.85 Å. There are four inequivalent S+1.75- sites. In the first S+1.75- site, S+1.75- is bonded in a 4-coordinate geometry to two equivalent Cs1+ and two Sb3+ atoms. In the second S+1.75- site, S+1.75- is bonded in a 2-coordinate geometry to three equivalent Cs1+ and two Sb3+ atoms. In the third S+1.75- site, S+1.75- is bonded in a 1-coordinate geometry to three equivalent Cs1+, one Sb3+, and one S+1.75- atom. The S–S bond length is 2.09 Å. In the fourth S+1.75- site, S+1.75- is bonded to one Cs1+ and three Sb3+ atoms to form distorted edge-sharing SCsSb3 trigonal pyramids.
- Authors:
- Publication Date:
- Other Number(s):
- mp-8890
- 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; Cs(SbS2)2; Cs-S-Sb
- OSTI Identifier:
- 1312812
- DOI:
- https://doi.org/10.17188/1312812
Citation Formats
The Materials Project. Materials Data on Cs(SbS2)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1312812.
The Materials Project. Materials Data on Cs(SbS2)2 by Materials Project. United States. doi:https://doi.org/10.17188/1312812
The Materials Project. 2020.
"Materials Data on Cs(SbS2)2 by Materials Project". United States. doi:https://doi.org/10.17188/1312812. https://www.osti.gov/servlets/purl/1312812. Pub date:Sat May 09 00:00:00 EDT 2020
@article{osti_1312812,
title = {Materials Data on Cs(SbS2)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Cs(SbS2)2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Cs1+ is bonded in a 9-coordinate geometry to nine S+1.75- atoms. There are a spread of Cs–S bond distances ranging from 3.52–3.88 Å. There are two inequivalent Sb3+ sites. In the first Sb3+ site, Sb3+ is bonded in a rectangular see-saw-like geometry to four S+1.75- atoms. There are a spread of Sb–S bond distances ranging from 2.46–2.96 Å. In the second Sb3+ site, Sb3+ is bonded in a distorted rectangular see-saw-like geometry to four S+1.75- atoms. There are a spread of Sb–S bond distances ranging from 2.44–2.85 Å. There are four inequivalent S+1.75- sites. In the first S+1.75- site, S+1.75- is bonded in a 4-coordinate geometry to two equivalent Cs1+ and two Sb3+ atoms. In the second S+1.75- site, S+1.75- is bonded in a 2-coordinate geometry to three equivalent Cs1+ and two Sb3+ atoms. In the third S+1.75- site, S+1.75- is bonded in a 1-coordinate geometry to three equivalent Cs1+, one Sb3+, and one S+1.75- atom. The S–S bond length is 2.09 Å. In the fourth S+1.75- site, S+1.75- is bonded to one Cs1+ and three Sb3+ atoms to form distorted edge-sharing SCsSb3 trigonal pyramids.},
doi = {10.17188/1312812},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}