Materials Data on CsPO4 by Materials Project
Abstract
CsPO4 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Cs is bonded in a 10-coordinate geometry to ten O atoms. There are a spread of Cs–O bond distances ranging from 3.22–3.58 Å. P is bonded in a tetrahedral geometry to four O atoms. There is one shorter (1.54 Å) and three longer (1.55 Å) P–O bond length. There are three inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one Cs and one P atom. In the second O site, O is bonded in a single-bond geometry to three equivalent Cs and one P atom. In the third O site, O is bonded in a single-bond geometry to three equivalent Cs and one P atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1102971
- 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; CsPO4; Cs-O-P
- OSTI Identifier:
- 1752623
- DOI:
- https://doi.org/10.17188/1752623
Citation Formats
The Materials Project. Materials Data on CsPO4 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1752623.
The Materials Project. Materials Data on CsPO4 by Materials Project. United States. doi:https://doi.org/10.17188/1752623
The Materials Project. 2019.
"Materials Data on CsPO4 by Materials Project". United States. doi:https://doi.org/10.17188/1752623. https://www.osti.gov/servlets/purl/1752623. Pub date:Thu Sep 05 00:00:00 EDT 2019
@article{osti_1752623,
title = {Materials Data on CsPO4 by Materials Project},
author = {The Materials Project},
abstractNote = {CsPO4 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Cs is bonded in a 10-coordinate geometry to ten O atoms. There are a spread of Cs–O bond distances ranging from 3.22–3.58 Å. P is bonded in a tetrahedral geometry to four O atoms. There is one shorter (1.54 Å) and three longer (1.55 Å) P–O bond length. There are three inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one Cs and one P atom. In the second O site, O is bonded in a single-bond geometry to three equivalent Cs and one P atom. In the third O site, O is bonded in a single-bond geometry to three equivalent Cs and one P atom.},
doi = {10.17188/1752623},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {9}
}
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