U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Cr(WO4)3 by Materials Project
Abstract
Cr(WO4)3 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are three inequivalent W6+ sites. In the first W6+ site, W6+ is bonded to six O2- atoms to form corner-sharing WO6 octahedra. The corner-sharing octahedra tilt angles range from 18–29°. There are a spread of W–O bond distances ranging from 1.92–1.95 Å. In the second W6+ site, W6+ is bonded to six O2- atoms to form distorted WO6 octahedra that share corners with two equivalent WO6 octahedra and corners with four equivalent CrO6 octahedra. The corner-sharing octahedra tilt angles range from 22–31°. There are a spread of W–O bond distances ranging from 1.79–2.20 Å. In the third W6+ site, W6+ is bonded to six O2- atoms to form distorted WO6 octahedra that share corners with two equivalent CrO6 octahedra and corners with four equivalent WO6 octahedra. The corner-sharing octahedra tilt angles range from 18–29°. There are a spread of W–O bond distances ranging from 1.78–2.23 Å. Cr6+ is bonded to six O2- atoms to form distorted CrO6 octahedra that share corners with six WO6 octahedra. The corner-sharing octahedra tilt angles range from 23–31°. There are a spread of Cr–O bond distances ranging from 1.65–2.12 Å. There aremore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1178444
- 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; Cr(WO4)3; Cr-O-W
- OSTI Identifier:
- 1686576
- DOI:
- https://doi.org/10.17188/1686576
Citation Formats
The Materials Project. Materials Data on Cr(WO4)3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1686576.
The Materials Project. Materials Data on Cr(WO4)3 by Materials Project. United States. doi:https://doi.org/10.17188/1686576
The Materials Project. 2020.
"Materials Data on Cr(WO4)3 by Materials Project". United States. doi:https://doi.org/10.17188/1686576. https://www.osti.gov/servlets/purl/1686576. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1686576,
title = {Materials Data on Cr(WO4)3 by Materials Project},
author = {The Materials Project},
abstractNote = {Cr(WO4)3 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are three inequivalent W6+ sites. In the first W6+ site, W6+ is bonded to six O2- atoms to form corner-sharing WO6 octahedra. The corner-sharing octahedra tilt angles range from 18–29°. There are a spread of W–O bond distances ranging from 1.92–1.95 Å. In the second W6+ site, W6+ is bonded to six O2- atoms to form distorted WO6 octahedra that share corners with two equivalent WO6 octahedra and corners with four equivalent CrO6 octahedra. The corner-sharing octahedra tilt angles range from 22–31°. There are a spread of W–O bond distances ranging from 1.79–2.20 Å. In the third W6+ site, W6+ is bonded to six O2- atoms to form distorted WO6 octahedra that share corners with two equivalent CrO6 octahedra and corners with four equivalent WO6 octahedra. The corner-sharing octahedra tilt angles range from 18–29°. There are a spread of W–O bond distances ranging from 1.78–2.23 Å. Cr6+ is bonded to six O2- atoms to form distorted CrO6 octahedra that share corners with six WO6 octahedra. The corner-sharing octahedra tilt angles range from 23–31°. There are a spread of Cr–O bond distances ranging from 1.65–2.12 Å. There are twelve inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one W6+ and one Cr6+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to two W6+ atoms. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to two W6+ atoms. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to one W6+ and one Cr6+ atom. In the fifth O2- site, O2- is bonded in a bent 150 degrees geometry to two W6+ atoms. In the sixth O2- site, O2- is bonded in a bent 150 degrees geometry to one W6+ and one Cr6+ atom. In the seventh O2- site, O2- is bonded in a distorted single-bond geometry to one W6+ and one Cr6+ atom. In the eighth O2- site, O2- is bonded in a bent 150 degrees geometry to two W6+ atoms. In the ninth O2- site, O2- is bonded in a bent 150 degrees geometry to one W6+ and one Cr6+ atom. In the tenth O2- site, O2- is bonded in a bent 150 degrees geometry to two W6+ atoms. In the eleventh O2- site, O2- is bonded in a bent 150 degrees geometry to two W6+ atoms. In the twelfth O2- site, O2- is bonded in a distorted single-bond geometry to one W6+ and one Cr6+ atom.},
doi = {10.17188/1686576},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}