Materials Data on CrMoO4 by Materials Project
Abstract
CrMoO4 is Hydrophilite-derived structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Mo6+ is bonded to six O2- atoms to form MoO6 octahedra that share corners with eight equivalent CrO6 octahedra and edges with two equivalent MoO6 octahedra. The corner-sharing octahedra tilt angles range from 50–51°. There is two shorter (1.94 Å) and four longer (2.03 Å) Mo–O bond length. Cr2+ is bonded to six O2- atoms to form CrO6 octahedra that share corners with eight equivalent MoO6 octahedra and edges with two equivalent CrO6 octahedra. The corner-sharing octahedra tilt angles range from 50–51°. There are two shorter (2.01 Å) and four longer (2.03 Å) Cr–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one Mo6+ and two equivalent Cr2+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Mo6+ and one Cr2+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Mo6+ and one Cr2+ atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1213733
- 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; CrMoO4; Cr-Mo-O
- OSTI Identifier:
- 1681694
- DOI:
- https://doi.org/10.17188/1681694
Citation Formats
The Materials Project. Materials Data on CrMoO4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1681694.
The Materials Project. Materials Data on CrMoO4 by Materials Project. United States. doi:https://doi.org/10.17188/1681694
The Materials Project. 2020.
"Materials Data on CrMoO4 by Materials Project". United States. doi:https://doi.org/10.17188/1681694. https://www.osti.gov/servlets/purl/1681694. Pub date:Sat May 09 00:00:00 EDT 2020
@article{osti_1681694,
title = {Materials Data on CrMoO4 by Materials Project},
author = {The Materials Project},
abstractNote = {CrMoO4 is Hydrophilite-derived structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Mo6+ is bonded to six O2- atoms to form MoO6 octahedra that share corners with eight equivalent CrO6 octahedra and edges with two equivalent MoO6 octahedra. The corner-sharing octahedra tilt angles range from 50–51°. There is two shorter (1.94 Å) and four longer (2.03 Å) Mo–O bond length. Cr2+ is bonded to six O2- atoms to form CrO6 octahedra that share corners with eight equivalent MoO6 octahedra and edges with two equivalent CrO6 octahedra. The corner-sharing octahedra tilt angles range from 50–51°. There are two shorter (2.01 Å) and four longer (2.03 Å) Cr–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one Mo6+ and two equivalent Cr2+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Mo6+ and one Cr2+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Mo6+ and one Cr2+ atom.},
doi = {10.17188/1681694},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}