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Title: Materials Data on MoO2 by Materials Project

Abstract

MoO2 is Hydrophilite-like structured and crystallizes in the tetragonal I4/m space group. The structure is three-dimensional. Mo4+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing MoO6 octahedra. The corner-sharing octahedral tilt angles are 51°. There are a spread of Mo–O bond distances ranging from 2.02–2.12 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to three equivalent Mo4+ atoms. In the second O2- site, O2- is bonded in a trigonal non-coplanar geometry to three equivalent Mo4+ atoms.

Authors:
Publication Date:
Other Number(s):
mvc-13677
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; MoO2; Mo-O
OSTI Identifier:
1318945
DOI:
https://doi.org/10.17188/1318945

Citation Formats

The Materials Project. Materials Data on MoO2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1318945.
The Materials Project. Materials Data on MoO2 by Materials Project. United States. doi:https://doi.org/10.17188/1318945
The Materials Project. 2020. "Materials Data on MoO2 by Materials Project". United States. doi:https://doi.org/10.17188/1318945. https://www.osti.gov/servlets/purl/1318945. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1318945,
title = {Materials Data on MoO2 by Materials Project},
author = {The Materials Project},
abstractNote = {MoO2 is Hydrophilite-like structured and crystallizes in the tetragonal I4/m space group. The structure is three-dimensional. Mo4+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing MoO6 octahedra. The corner-sharing octahedral tilt angles are 51°. There are a spread of Mo–O bond distances ranging from 2.02–2.12 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to three equivalent Mo4+ atoms. In the second O2- site, O2- is bonded in a trigonal non-coplanar geometry to three equivalent Mo4+ atoms.},
doi = {10.17188/1318945},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}