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Title: Materials Data on Bi2AsO6 by Materials Project

Abstract

Bi2AsO6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Bi+3.50+ sites. In the first Bi+3.50+ site, Bi+3.50+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Bi–O bond distances ranging from 2.20–2.65 Å. In the second Bi+3.50+ site, Bi+3.50+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Bi–O bond distances ranging from 2.21–2.64 Å. As5+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of As–O bond distances ranging from 1.71–1.73 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two Bi+3.50+ and one As5+ atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry to four Bi+3.50+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to three Bi+3.50+ atoms. In the fourth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Bi+3.50+ and one As5+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to two Bi+3.50+ and one As5+ atom. Inmore » the sixth O2- site, O2- is bonded in a 1-coordinate geometry to two Bi+3.50+ and one As5+ atom.« less

Authors:
Publication Date:
Other Number(s):
mp-1203464
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; Bi2AsO6; As-Bi-O
OSTI Identifier:
1753464
DOI:
https://doi.org/10.17188/1753464

Citation Formats

The Materials Project. Materials Data on Bi2AsO6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1753464.
The Materials Project. Materials Data on Bi2AsO6 by Materials Project. United States. doi:https://doi.org/10.17188/1753464
The Materials Project. 2020. "Materials Data on Bi2AsO6 by Materials Project". United States. doi:https://doi.org/10.17188/1753464. https://www.osti.gov/servlets/purl/1753464. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1753464,
title = {Materials Data on Bi2AsO6 by Materials Project},
author = {The Materials Project},
abstractNote = {Bi2AsO6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Bi+3.50+ sites. In the first Bi+3.50+ site, Bi+3.50+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Bi–O bond distances ranging from 2.20–2.65 Å. In the second Bi+3.50+ site, Bi+3.50+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Bi–O bond distances ranging from 2.21–2.64 Å. As5+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of As–O bond distances ranging from 1.71–1.73 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two Bi+3.50+ and one As5+ atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry to four Bi+3.50+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to three Bi+3.50+ atoms. In the fourth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Bi+3.50+ and one As5+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to two Bi+3.50+ and one As5+ atom. In the sixth O2- site, O2- is bonded in a 1-coordinate geometry to two Bi+3.50+ and one As5+ atom.},
doi = {10.17188/1753464},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}