skip to main content
DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on CsAsO3 by Materials Project

Abstract

CsAsO3 crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. Cs1+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Cs–O bond distances ranging from 3.18–3.51 Å. As5+ is bonded to four O2- atoms to form corner-sharing AsO4 tetrahedra. There is two shorter (1.67 Å) and two longer (1.83 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 four equivalent Cs1+ and one As5+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to three equivalent Cs1+ and one As5+ atom. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent Cs1+ and two equivalent As5+ atoms.

Publication Date:
Other Number(s):
mp-776093
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; CsAsO3; As-Cs-O
OSTI Identifier:
1304127
DOI:
https://doi.org/10.17188/1304127

Citation Formats

The Materials Project. Materials Data on CsAsO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1304127.
The Materials Project. Materials Data on CsAsO3 by Materials Project. United States. doi:https://doi.org/10.17188/1304127
The Materials Project. 2020. "Materials Data on CsAsO3 by Materials Project". United States. doi:https://doi.org/10.17188/1304127. https://www.osti.gov/servlets/purl/1304127. Pub date:Fri May 01 00:00:00 EDT 2020
@article{osti_1304127,
title = {Materials Data on CsAsO3 by Materials Project},
author = {The Materials Project},
abstractNote = {CsAsO3 crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. Cs1+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Cs–O bond distances ranging from 3.18–3.51 Å. As5+ is bonded to four O2- atoms to form corner-sharing AsO4 tetrahedra. There is two shorter (1.67 Å) and two longer (1.83 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 four equivalent Cs1+ and one As5+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to three equivalent Cs1+ and one As5+ atom. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent Cs1+ and two equivalent As5+ atoms.},
doi = {10.17188/1304127},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}