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Title: Materials Data on Bi2WO6 by Materials Project

Abstract

Bi2WO6 crystallizes in the orthorhombic Pca2_1 space group. The structure is three-dimensional. W6+ is bonded to five O2- atoms to form WO5 trigonal bipyramids that share corners with two equivalent BiO5 square pyramids and corners with two equivalent WO5 trigonal bipyramids. There are a spread of W–O bond distances ranging from 1.94–2.20 Å. There are two inequivalent Bi3+ sites. In the first Bi3+ site, Bi3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Bi–O bond distances ranging from 2.09–2.77 Å. In the second Bi3+ site, Bi3+ is bonded to five O2- atoms to form BiO5 square pyramids that share corners with two equivalent WO5 trigonal bipyramids and edges with two equivalent BiO5 square pyramids. There are a spread of Bi–O bond distances ranging from 2.06–2.49 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one W6+ and two equivalent Bi3+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent W6+ and one Bi3+ atom. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to two Bi3+ atoms. In the fourthmore » O2- site, O2- is bonded in a trigonal non-coplanar geometry to two equivalent Bi3+ and one O2- atom. The O–O bond length is 1.49 Å. In the fifth O2- site, O2- is bonded in a trigonal non-coplanar geometry to one W6+ and two equivalent Bi3+ atoms. In the sixth O2- site, O2- is bonded in a 4-coordinate geometry to one W6+, two equivalent Bi3+, and one O2- atom.« less

Publication Date:
Other Number(s):
mp-1182818
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; Bi2WO6; Bi-O-W
OSTI Identifier:
1664186
DOI:
https://doi.org/10.17188/1664186

Citation Formats

The Materials Project. Materials Data on Bi2WO6 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1664186.
The Materials Project. Materials Data on Bi2WO6 by Materials Project. United States. doi:https://doi.org/10.17188/1664186
The Materials Project. 2019. "Materials Data on Bi2WO6 by Materials Project". United States. doi:https://doi.org/10.17188/1664186. https://www.osti.gov/servlets/purl/1664186. Pub date:Fri Jan 11 00:00:00 EST 2019
@article{osti_1664186,
title = {Materials Data on Bi2WO6 by Materials Project},
author = {The Materials Project},
abstractNote = {Bi2WO6 crystallizes in the orthorhombic Pca2_1 space group. The structure is three-dimensional. W6+ is bonded to five O2- atoms to form WO5 trigonal bipyramids that share corners with two equivalent BiO5 square pyramids and corners with two equivalent WO5 trigonal bipyramids. There are a spread of W–O bond distances ranging from 1.94–2.20 Å. There are two inequivalent Bi3+ sites. In the first Bi3+ site, Bi3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Bi–O bond distances ranging from 2.09–2.77 Å. In the second Bi3+ site, Bi3+ is bonded to five O2- atoms to form BiO5 square pyramids that share corners with two equivalent WO5 trigonal bipyramids and edges with two equivalent BiO5 square pyramids. There are a spread of Bi–O bond distances ranging from 2.06–2.49 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one W6+ and two equivalent Bi3+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent W6+ and one Bi3+ atom. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to two Bi3+ atoms. In the fourth O2- site, O2- is bonded in a trigonal non-coplanar geometry to two equivalent Bi3+ and one O2- atom. The O–O bond length is 1.49 Å. In the fifth O2- site, O2- is bonded in a trigonal non-coplanar geometry to one W6+ and two equivalent Bi3+ atoms. In the sixth O2- site, O2- is bonded in a 4-coordinate geometry to one W6+, two equivalent Bi3+, and one O2- atom.},
doi = {10.17188/1664186},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}