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 trigonal R-3 space group. The structure is three-dimensional. W6+ is bonded to four O2- atoms to form WO4 tetrahedra that share corners with four CrO6 octahedra. The corner-sharing octahedra tilt angles range from 23–41°. There are a spread of W–O bond distances ranging from 1.80–1.82 Å. There are two inequivalent Cr3+ sites. In the first Cr3+ site, Cr3+ is bonded to six O2- atoms to form CrO6 octahedra that share corners with six equivalent WO4 tetrahedra. There is three shorter (1.99 Å) and three longer (2.00 Å) Cr–O bond length. In the second Cr3+ site, Cr3+ is bonded to six O2- atoms to form CrO6 octahedra that share corners with six equivalent WO4 tetrahedra. There are three shorter (2.00 Å) and three longer (2.02 Å) Cr–O bond lengths. There are four 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 bent 150 degrees 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+more »
- Authors:
- Publication Date:
- Other Number(s):
- mp-771713
- 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:
- 1300779
- DOI:
- https://doi.org/10.17188/1300779
Citation Formats
The Materials Project. Materials Data on Cr2(WO4)3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1300779.
The Materials Project. Materials Data on Cr2(WO4)3 by Materials Project. United States. doi:https://doi.org/10.17188/1300779
The Materials Project. 2020.
"Materials Data on Cr2(WO4)3 by Materials Project". United States. doi:https://doi.org/10.17188/1300779. https://www.osti.gov/servlets/purl/1300779. Pub date:Mon Aug 03 00:00:00 EDT 2020
@article{osti_1300779,
title = {Materials Data on Cr2(WO4)3 by Materials Project},
author = {The Materials Project},
abstractNote = {Cr2(WO4)3 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. W6+ is bonded to four O2- atoms to form WO4 tetrahedra that share corners with four CrO6 octahedra. The corner-sharing octahedra tilt angles range from 23–41°. There are a spread of W–O bond distances ranging from 1.80–1.82 Å. There are two inequivalent Cr3+ sites. In the first Cr3+ site, Cr3+ is bonded to six O2- atoms to form CrO6 octahedra that share corners with six equivalent WO4 tetrahedra. There is three shorter (1.99 Å) and three longer (2.00 Å) Cr–O bond length. In the second Cr3+ site, Cr3+ is bonded to six O2- atoms to form CrO6 octahedra that share corners with six equivalent WO4 tetrahedra. There are three shorter (2.00 Å) and three longer (2.02 Å) Cr–O bond lengths. There are four 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 bent 150 degrees 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 bent 150 degrees geometry to one W6+ and one Cr3+ atom.},
doi = {10.17188/1300779},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {8}
}