U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Cr2(WO4)3 by Materials Project
Abstract
Cr2(WO4)3 crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional. there are two inequivalent W6+ sites. In the first W6+ site, W6+ is bonded to four O2- atoms to form WO4 tetrahedra that share corners with four equivalent CrO6 octahedra. The corner-sharing octahedra tilt angles range from 4–38°. All W–O bond lengths are 1.81 Å. In the second W6+ site, W6+ is bonded to four O2- atoms to form WO4 tetrahedra that share corners with four equivalent CrO6 octahedra. The corner-sharing octahedra tilt angles range from 12–31°. All W–O bond lengths are 1.81 Å. Cr3+ is bonded to six O2- atoms to form CrO6 octahedra that share corners with six WO4 tetrahedra. There are a spread of Cr–O bond distances ranging from 1.98–2.01 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one W6+ and one Cr3+ atom. In the second O2- site, O2- is bonded in a linear geometry to one W6+ and one Cr3+ atom. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to one W6+ and one Cr3+ atom. In the fourth O2- site, O2- ismore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-772321
- 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; Cr2(WO4)3; Cr-O-W
- OSTI Identifier:
- 1301174
- DOI:
- https://doi.org/10.17188/1301174
Citation Formats
The Materials Project. Materials Data on Cr2(WO4)3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1301174.
The Materials Project. Materials Data on Cr2(WO4)3 by Materials Project. United States. doi:https://doi.org/10.17188/1301174
The Materials Project. 2020.
"Materials Data on Cr2(WO4)3 by Materials Project". United States. doi:https://doi.org/10.17188/1301174. https://www.osti.gov/servlets/purl/1301174. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1301174,
title = {Materials Data on Cr2(WO4)3 by Materials Project},
author = {The Materials Project},
abstractNote = {Cr2(WO4)3 crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional. there are two inequivalent W6+ sites. In the first W6+ site, W6+ is bonded to four O2- atoms to form WO4 tetrahedra that share corners with four equivalent CrO6 octahedra. The corner-sharing octahedra tilt angles range from 4–38°. All W–O bond lengths are 1.81 Å. In the second W6+ site, W6+ is bonded to four O2- atoms to form WO4 tetrahedra that share corners with four equivalent CrO6 octahedra. The corner-sharing octahedra tilt angles range from 12–31°. All W–O bond lengths are 1.81 Å. Cr3+ is bonded to six O2- atoms to form CrO6 octahedra that share corners with six WO4 tetrahedra. There are a spread of Cr–O bond distances ranging from 1.98–2.01 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one W6+ and one Cr3+ atom. In the second O2- site, O2- is bonded in a linear geometry to one W6+ and one Cr3+ atom. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to one W6+ and one Cr3+ atom. In the fourth O2- site, O2- is bonded in a linear geometry to one W6+ and one Cr3+ atom. In the fifth O2- site, O2- is bonded in a bent 150 degrees geometry to one W6+ and one Cr3+ atom. In the sixth O2- site, O2- is bonded in a bent 150 degrees geometry to one W6+ and one Cr3+ atom.},
doi = {10.17188/1301174},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}