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Title: 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}
}