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Title: Materials Data on Cs3BiO3 by Materials Project

Abstract

Cs3BiO3 crystallizes in the cubic P2_13 space group. The structure is three-dimensional. there are three inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. There are three shorter (3.14 Å) and three longer (3.31 Å) Cs–O bond lengths. In the second Cs1+ site, Cs1+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. There are three shorter (3.16 Å) and three longer (3.27 Å) Cs–O bond lengths. In the third Cs1+ site, Cs1+ is bonded in a distorted T-shaped geometry to three equivalent O2- atoms. All Cs–O bond lengths are 2.86 Å. Bi3+ is bonded in a distorted trigonal non-coplanar geometry to three equivalent O2- atoms. All Bi–O bond lengths are 2.10 Å. O2- is bonded in a 6-coordinate geometry to five Cs1+ and one Bi3+ atom.

Publication Date:
Other Number(s):
mp-29505
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; Cs3BiO3; Bi-Cs-O
OSTI Identifier:
1203978
DOI:
https://doi.org/10.17188/1203978

Citation Formats

The Materials Project. Materials Data on Cs3BiO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1203978.
The Materials Project. Materials Data on Cs3BiO3 by Materials Project. United States. doi:https://doi.org/10.17188/1203978
The Materials Project. 2020. "Materials Data on Cs3BiO3 by Materials Project". United States. doi:https://doi.org/10.17188/1203978. https://www.osti.gov/servlets/purl/1203978. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1203978,
title = {Materials Data on Cs3BiO3 by Materials Project},
author = {The Materials Project},
abstractNote = {Cs3BiO3 crystallizes in the cubic P2_13 space group. The structure is three-dimensional. there are three inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. There are three shorter (3.14 Å) and three longer (3.31 Å) Cs–O bond lengths. In the second Cs1+ site, Cs1+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. There are three shorter (3.16 Å) and three longer (3.27 Å) Cs–O bond lengths. In the third Cs1+ site, Cs1+ is bonded in a distorted T-shaped geometry to three equivalent O2- atoms. All Cs–O bond lengths are 2.86 Å. Bi3+ is bonded in a distorted trigonal non-coplanar geometry to three equivalent O2- atoms. All Bi–O bond lengths are 2.10 Å. O2- is bonded in a 6-coordinate geometry to five Cs1+ and one Bi3+ atom.},
doi = {10.17188/1203978},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}