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Title: Materials Data on Cs4(BS)9 by Materials Project

Abstract

Cs4(BS)9 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are four inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 8-coordinate geometry to eight S+1.44- atoms. There are a spread of Cs–S bond distances ranging from 3.59–3.96 Å. In the second Cs1+ site, Cs1+ is bonded in a 8-coordinate geometry to eight S+1.44- atoms. There are a spread of Cs–S bond distances ranging from 3.56–3.93 Å. In the third Cs1+ site, Cs1+ is bonded in a 8-coordinate geometry to eight S+1.44- atoms. There are a spread of Cs–S bond distances ranging from 3.53–3.95 Å. In the fourth Cs1+ site, Cs1+ is bonded in a 8-coordinate geometry to eight S+1.44- atoms. There are a spread of Cs–S bond distances ranging from 3.76–4.21 Å. There are nine inequivalent B1+ sites. In the first B1+ site, B1+ is bonded in a single-bond geometry to one S+1.44- atom. The B–S bond length is 1.87 Å. In the second B1+ site, B1+ is bonded in a single-bond geometry to one S+1.44- atom. The B–S bond length is 1.87 Å. In the third B1+ site, B1+ is bonded in a single-bond geometry to one S+1.44- atom. The B–Smore » bond length is 1.86 Å. In the fourth B1+ site, B1+ is bonded in a single-bond geometry to one S+1.44- atom. The B–S bond length is 1.86 Å. In the fifth B1+ site, B1+ is bonded in a single-bond geometry to one S+1.44- atom. The B–S bond length is 1.87 Å. In the sixth B1+ site, B1+ is bonded in a single-bond geometry to one S+1.44- atom. The B–S bond length is 1.86 Å. In the seventh B1+ site, B1+ is bonded in a trigonal planar geometry to three S+1.44- atoms. There are a spread of B–S bond distances ranging from 1.78–1.86 Å. In the eighth B1+ site, B1+ is bonded in a trigonal planar geometry to three S+1.44- atoms. There are a spread of B–S bond distances ranging from 1.78–1.86 Å. In the ninth B1+ site, B1+ is bonded in a trigonal planar geometry to three S+1.44- atoms. There are a spread of B–S bond distances ranging from 1.78–1.86 Å. There are nine inequivalent S+1.44- sites. In the first S+1.44- site, S+1.44- is bonded in a water-like geometry to three Cs1+ and two B1+ atoms. In the second S+1.44- site, S+1.44- is bonded in a distorted water-like geometry to three Cs1+ and two B1+ atoms. In the third S+1.44- site, S+1.44- is bonded in a distorted water-like geometry to two Cs1+ and two B1+ atoms. In the fourth S+1.44- site, S+1.44- is bonded in a distorted water-like geometry to three Cs1+ and two B1+ atoms. In the fifth S+1.44- site, S+1.44- is bonded in a distorted water-like geometry to three Cs1+ and two B1+ atoms. In the sixth S+1.44- site, S+1.44- is bonded in a distorted water-like geometry to two Cs1+ and two B1+ atoms. In the seventh S+1.44- site, S+1.44- is bonded in a distorted single-bond geometry to six Cs1+ and one B1+ atom. In the eighth S+1.44- site, S+1.44- is bonded in a distorted single-bond geometry to five Cs1+ and one B1+ atom. In the ninth S+1.44- site, S+1.44- is bonded in a distorted single-bond geometry to five Cs1+ and one B1+ atom.« less

Publication Date:
Other Number(s):
mp-1200467
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Cs4(BS)9; B-Cs-S
OSTI Identifier:
1729499
DOI:
https://doi.org/10.17188/1729499

Citation Formats

The Materials Project. Materials Data on Cs4(BS)9 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1729499.
The Materials Project. Materials Data on Cs4(BS)9 by Materials Project. United States. doi:https://doi.org/10.17188/1729499
The Materials Project. 2020. "Materials Data on Cs4(BS)9 by Materials Project". United States. doi:https://doi.org/10.17188/1729499. https://www.osti.gov/servlets/purl/1729499. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1729499,
title = {Materials Data on Cs4(BS)9 by Materials Project},
author = {The Materials Project},
abstractNote = {Cs4(BS)9 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are four inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 8-coordinate geometry to eight S+1.44- atoms. There are a spread of Cs–S bond distances ranging from 3.59–3.96 Å. In the second Cs1+ site, Cs1+ is bonded in a 8-coordinate geometry to eight S+1.44- atoms. There are a spread of Cs–S bond distances ranging from 3.56–3.93 Å. In the third Cs1+ site, Cs1+ is bonded in a 8-coordinate geometry to eight S+1.44- atoms. There are a spread of Cs–S bond distances ranging from 3.53–3.95 Å. In the fourth Cs1+ site, Cs1+ is bonded in a 8-coordinate geometry to eight S+1.44- atoms. There are a spread of Cs–S bond distances ranging from 3.76–4.21 Å. There are nine inequivalent B1+ sites. In the first B1+ site, B1+ is bonded in a single-bond geometry to one S+1.44- atom. The B–S bond length is 1.87 Å. In the second B1+ site, B1+ is bonded in a single-bond geometry to one S+1.44- atom. The B–S bond length is 1.87 Å. In the third B1+ site, B1+ is bonded in a single-bond geometry to one S+1.44- atom. The B–S bond length is 1.86 Å. In the fourth B1+ site, B1+ is bonded in a single-bond geometry to one S+1.44- atom. The B–S bond length is 1.86 Å. In the fifth B1+ site, B1+ is bonded in a single-bond geometry to one S+1.44- atom. The B–S bond length is 1.87 Å. In the sixth B1+ site, B1+ is bonded in a single-bond geometry to one S+1.44- atom. The B–S bond length is 1.86 Å. In the seventh B1+ site, B1+ is bonded in a trigonal planar geometry to three S+1.44- atoms. There are a spread of B–S bond distances ranging from 1.78–1.86 Å. In the eighth B1+ site, B1+ is bonded in a trigonal planar geometry to three S+1.44- atoms. There are a spread of B–S bond distances ranging from 1.78–1.86 Å. In the ninth B1+ site, B1+ is bonded in a trigonal planar geometry to three S+1.44- atoms. There are a spread of B–S bond distances ranging from 1.78–1.86 Å. There are nine inequivalent S+1.44- sites. In the first S+1.44- site, S+1.44- is bonded in a water-like geometry to three Cs1+ and two B1+ atoms. In the second S+1.44- site, S+1.44- is bonded in a distorted water-like geometry to three Cs1+ and two B1+ atoms. In the third S+1.44- site, S+1.44- is bonded in a distorted water-like geometry to two Cs1+ and two B1+ atoms. In the fourth S+1.44- site, S+1.44- is bonded in a distorted water-like geometry to three Cs1+ and two B1+ atoms. In the fifth S+1.44- site, S+1.44- is bonded in a distorted water-like geometry to three Cs1+ and two B1+ atoms. In the sixth S+1.44- site, S+1.44- is bonded in a distorted water-like geometry to two Cs1+ and two B1+ atoms. In the seventh S+1.44- site, S+1.44- is bonded in a distorted single-bond geometry to six Cs1+ and one B1+ atom. In the eighth S+1.44- site, S+1.44- is bonded in a distorted single-bond geometry to five Cs1+ and one B1+ atom. In the ninth S+1.44- site, S+1.44- is bonded in a distorted single-bond geometry to five Cs1+ and one B1+ atom.},
doi = {10.17188/1729499},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}