U.S. Department of EnergyOffice of Scientific and Technical Information
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 »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1182818
- 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; 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}
}