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Title: Materials Data on CsCoPO4 by Materials Project

Abstract

CsCoPO4 crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. Cs1+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Cs–O bond distances ranging from 3.05–3.67 Å. Co2+ is bonded to four O2- atoms to form CoO4 tetrahedra that share corners with four equivalent PO4 tetrahedra. There are a spread of Co–O bond distances ranging from 1.96–1.98 Å. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with four equivalent CoO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.54–1.56 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to three equivalent Cs1+, one Co2+, and one P5+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to three equivalent Cs1+, one Co2+, and one P5+ atom. In the third O2- site, O2- is bonded in a distorted linear geometry to two equivalent Cs1+, one Co2+, and one P5+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent Cs1+, one Co2+, and one P5+ atom.

Publication Date:
Other Number(s):
mp-1213687
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; CsCoPO4; Co-Cs-O-P
OSTI Identifier:
1676998
DOI:
https://doi.org/10.17188/1676998

Citation Formats

The Materials Project. Materials Data on CsCoPO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1676998.
The Materials Project. Materials Data on CsCoPO4 by Materials Project. United States. doi:https://doi.org/10.17188/1676998
The Materials Project. 2020. "Materials Data on CsCoPO4 by Materials Project". United States. doi:https://doi.org/10.17188/1676998. https://www.osti.gov/servlets/purl/1676998. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1676998,
title = {Materials Data on CsCoPO4 by Materials Project},
author = {The Materials Project},
abstractNote = {CsCoPO4 crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. Cs1+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Cs–O bond distances ranging from 3.05–3.67 Å. Co2+ is bonded to four O2- atoms to form CoO4 tetrahedra that share corners with four equivalent PO4 tetrahedra. There are a spread of Co–O bond distances ranging from 1.96–1.98 Å. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with four equivalent CoO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.54–1.56 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to three equivalent Cs1+, one Co2+, and one P5+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to three equivalent Cs1+, one Co2+, and one P5+ atom. In the third O2- site, O2- is bonded in a distorted linear geometry to two equivalent Cs1+, one Co2+, and one P5+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent Cs1+, one Co2+, and one P5+ atom.},
doi = {10.17188/1676998},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}