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Title: Materials Data on Bi12AsO20 by Materials Project

Abstract

Bi12AsO20 crystallizes in the cubic I23 space group. The structure is three-dimensional. Bi+2.92+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Bi–O bond distances ranging from 2.15–2.79 Å. As5+ is bonded in a tetrahedral geometry to four equivalent O2- atoms. All As–O bond lengths are 1.74 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to three equivalent Bi+2.92+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three equivalent Bi+2.92+ atoms. In the third O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Bi+2.92+ and one As5+ atom.

Publication Date:
Other Number(s):
mp-757916
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; Bi12AsO20; As-Bi-O
OSTI Identifier:
1290939
DOI:
10.17188/1290939

Citation Formats

The Materials Project. Materials Data on Bi12AsO20 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1290939.
The Materials Project. Materials Data on Bi12AsO20 by Materials Project. United States. doi:10.17188/1290939.
The Materials Project. 2020. "Materials Data on Bi12AsO20 by Materials Project". United States. doi:10.17188/1290939. https://www.osti.gov/servlets/purl/1290939. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1290939,
title = {Materials Data on Bi12AsO20 by Materials Project},
author = {The Materials Project},
abstractNote = {Bi12AsO20 crystallizes in the cubic I23 space group. The structure is three-dimensional. Bi+2.92+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Bi–O bond distances ranging from 2.15–2.79 Å. As5+ is bonded in a tetrahedral geometry to four equivalent O2- atoms. All As–O bond lengths are 1.74 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to three equivalent Bi+2.92+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three equivalent Bi+2.92+ atoms. In the third O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Bi+2.92+ and one As5+ atom.},
doi = {10.17188/1290939},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

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