Materials Data on CrWO4 by Materials Project
Abstract
CrWO4 is Hydrophilite-derived structured and crystallizes in the orthorhombic Fmmm space group. The structure is three-dimensional. there are two inequivalent W6+ sites. In the first W6+ site, W6+ is bonded to six O2- atoms to form WO6 octahedra that share corners with eight CrO6 octahedra and edges with two equivalent WO6 octahedra. The corner-sharing octahedra tilt angles range from 50–51°. There is two shorter (1.95 Å) and four longer (2.04 Å) W–O bond length. In the second W6+ site, W6+ is bonded to six O2- atoms to form WO6 octahedra that share corners with eight CrO6 octahedra and edges with two equivalent WO6 octahedra. The corner-sharing octahedral tilt angles are 51°. There is two shorter (1.95 Å) and four longer (2.04 Å) W–O bond length. There are two inequivalent Cr2+ sites. In the first Cr2+ site, Cr2+ is bonded to six O2- atoms to form CrO6 octahedra that share corners with eight WO6 octahedra and edges with two equivalent CrO6 octahedra. The corner-sharing octahedra tilt angles range from 50–51°. There are two shorter (2.02 Å) and four longer (2.04 Å) Cr–O bond lengths. In the second Cr2+ site, Cr2+ is bonded to six O2- atoms to form CrO6 octahedra thatmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-18785
- 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; CrWO4; Cr-O-W
- OSTI Identifier:
- 1193486
- DOI:
- https://doi.org/10.17188/1193486
Citation Formats
The Materials Project. Materials Data on CrWO4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1193486.
The Materials Project. Materials Data on CrWO4 by Materials Project. United States. doi:https://doi.org/10.17188/1193486
The Materials Project. 2020.
"Materials Data on CrWO4 by Materials Project". United States. doi:https://doi.org/10.17188/1193486. https://www.osti.gov/servlets/purl/1193486. Pub date:Mon Aug 03 00:00:00 EDT 2020
@article{osti_1193486,
title = {Materials Data on CrWO4 by Materials Project},
author = {The Materials Project},
abstractNote = {CrWO4 is Hydrophilite-derived structured and crystallizes in the orthorhombic Fmmm space group. The structure is three-dimensional. there are two inequivalent W6+ sites. In the first W6+ site, W6+ is bonded to six O2- atoms to form WO6 octahedra that share corners with eight CrO6 octahedra and edges with two equivalent WO6 octahedra. The corner-sharing octahedra tilt angles range from 50–51°. There is two shorter (1.95 Å) and four longer (2.04 Å) W–O bond length. In the second W6+ site, W6+ is bonded to six O2- atoms to form WO6 octahedra that share corners with eight CrO6 octahedra and edges with two equivalent WO6 octahedra. The corner-sharing octahedral tilt angles are 51°. There is two shorter (1.95 Å) and four longer (2.04 Å) W–O bond length. There are two inequivalent Cr2+ sites. In the first Cr2+ site, Cr2+ is bonded to six O2- atoms to form CrO6 octahedra that share corners with eight WO6 octahedra and edges with two equivalent CrO6 octahedra. The corner-sharing octahedra tilt angles range from 50–51°. There are two shorter (2.02 Å) and four longer (2.04 Å) Cr–O bond lengths. In the second Cr2+ site, Cr2+ is bonded to six O2- atoms to form CrO6 octahedra that share corners with eight WO6 octahedra and edges with two equivalent CrO6 octahedra. The corner-sharing octahedral tilt angles are 51°. There are two shorter (2.02 Å) and four longer (2.04 Å) Cr–O bond lengths. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent W6+ and one Cr2+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent W6+ and one Cr2+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to one W6+ and two equivalent Cr2+ atoms. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent W6+ and one Cr2+ atom. In the fifth O2- site, O2- is bonded in a distorted trigonal planar geometry to one W6+ and two equivalent Cr2+ atoms.},
doi = {10.17188/1193486},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Mon Aug 03 00:00:00 EDT 2020},
month = {Mon Aug 03 00:00:00 EDT 2020}
}