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Title: Materials Data on Cs3As5O9 by Materials Project

Abstract

Cs3As5O9 crystallizes in the trigonal P31m space group. The structure is three-dimensional. Cs1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Cs–O bond distances ranging from 3.07–3.48 Å. There are two inequivalent As3+ sites. In the first As3+ site, As3+ is bonded in a distorted T-shaped geometry to three equivalent O2- atoms. All As–O bond lengths are 1.82 Å. In the second As3+ site, As3+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There is one shorter (1.71 Å) and two longer (1.90 Å) As–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Cs1+ and two As3+ atoms. In the second O2- site, O2- is bonded in a 1-coordinate geometry to three equivalent Cs1+ and one As3+ atom.

Authors:
Publication Date:
Other Number(s):
mp-30300
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; Cs3As5O9; As-Cs-O
OSTI Identifier:
1204723
DOI:
https://doi.org/10.17188/1204723

Citation Formats

The Materials Project. Materials Data on Cs3As5O9 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1204723.
The Materials Project. Materials Data on Cs3As5O9 by Materials Project. United States. doi:https://doi.org/10.17188/1204723
The Materials Project. 2020. "Materials Data on Cs3As5O9 by Materials Project". United States. doi:https://doi.org/10.17188/1204723. https://www.osti.gov/servlets/purl/1204723. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1204723,
title = {Materials Data on Cs3As5O9 by Materials Project},
author = {The Materials Project},
abstractNote = {Cs3As5O9 crystallizes in the trigonal P31m space group. The structure is three-dimensional. Cs1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Cs–O bond distances ranging from 3.07–3.48 Å. There are two inequivalent As3+ sites. In the first As3+ site, As3+ is bonded in a distorted T-shaped geometry to three equivalent O2- atoms. All As–O bond lengths are 1.82 Å. In the second As3+ site, As3+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There is one shorter (1.71 Å) and two longer (1.90 Å) As–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Cs1+ and two As3+ atoms. In the second O2- site, O2- is bonded in a 1-coordinate geometry to three equivalent Cs1+ and one As3+ atom.},
doi = {10.17188/1204723},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}