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Title: Materials Data on Cs3AsO4 by Materials Project

Abstract

Cs3AsO4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Cs–O bond distances ranging from 3.10–3.54 Å. In the second Cs1+ site, Cs1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Cs–O bond distances ranging from 2.94–3.30 Å. As5+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.73 Å) and two longer (1.74 Å) As–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to five Cs1+ and one As5+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to five Cs1+ and one As5+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to five Cs1+ and one As5+ atom.

Publication Date:
Other Number(s):
mp-30119
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; Cs3AsO4; As-Cs-O
OSTI Identifier:
1204545
DOI:
https://doi.org/10.17188/1204545

Citation Formats

The Materials Project. Materials Data on Cs3AsO4 by Materials Project. United States: N. p., 2017. Web. doi:10.17188/1204545.
The Materials Project. Materials Data on Cs3AsO4 by Materials Project. United States. doi:https://doi.org/10.17188/1204545
The Materials Project. 2017. "Materials Data on Cs3AsO4 by Materials Project". United States. doi:https://doi.org/10.17188/1204545. https://www.osti.gov/servlets/purl/1204545. Pub date:Wed May 10 00:00:00 EDT 2017
@article{osti_1204545,
title = {Materials Data on Cs3AsO4 by Materials Project},
author = {The Materials Project},
abstractNote = {Cs3AsO4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Cs–O bond distances ranging from 3.10–3.54 Å. In the second Cs1+ site, Cs1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Cs–O bond distances ranging from 2.94–3.30 Å. As5+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.73 Å) and two longer (1.74 Å) As–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to five Cs1+ and one As5+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to five Cs1+ and one As5+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to five Cs1+ and one As5+ atom.},
doi = {10.17188/1204545},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {5}
}