Materials Data on Cs3BP2 by Materials Project
Abstract
Cs3BP2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 4-coordinate geometry to four equivalent P3- atoms. There are two shorter (3.77 Å) and two longer (3.80 Å) Cs–P bond lengths. In the second Cs1+ site, Cs1+ is bonded in a 1-coordinate geometry to five equivalent P3- atoms. There are a spread of Cs–P bond distances ranging from 3.63–3.94 Å. B3+ is bonded in a linear geometry to two equivalent P3- atoms. Both B–P bond lengths are 1.78 Å. P3- is bonded in a distorted single-bond geometry to seven Cs1+ and one B3+ atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-9675
- 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; Cs3BP2; B-Cs-P
- OSTI Identifier:
- 1313512
- DOI:
- https://doi.org/10.17188/1313512
Citation Formats
The Materials Project. Materials Data on Cs3BP2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1313512.
The Materials Project. Materials Data on Cs3BP2 by Materials Project. United States. doi:https://doi.org/10.17188/1313512
The Materials Project. 2020.
"Materials Data on Cs3BP2 by Materials Project". United States. doi:https://doi.org/10.17188/1313512. https://www.osti.gov/servlets/purl/1313512. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1313512,
title = {Materials Data on Cs3BP2 by Materials Project},
author = {The Materials Project},
abstractNote = {Cs3BP2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 4-coordinate geometry to four equivalent P3- atoms. There are two shorter (3.77 Å) and two longer (3.80 Å) Cs–P bond lengths. In the second Cs1+ site, Cs1+ is bonded in a 1-coordinate geometry to five equivalent P3- atoms. There are a spread of Cs–P bond distances ranging from 3.63–3.94 Å. B3+ is bonded in a linear geometry to two equivalent P3- atoms. Both B–P bond lengths are 1.78 Å. P3- is bonded in a distorted single-bond geometry to seven Cs1+ and one B3+ atom.},
doi = {10.17188/1313512},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Jul 15 00:00:00 EDT 2020},
month = {Wed Jul 15 00:00:00 EDT 2020}
}
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