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Title: Materials Data on MoO2 by Materials Project

Abstract

MoO2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are four inequivalent Mo4+ sites. In the first Mo4+ site, Mo4+ is bonded to six O2- atoms to form edge-sharing MoO6 octahedra. There are a spread of Mo–O bond distances ranging from 2.06–2.14 Å. In the second Mo4+ site, Mo4+ is bonded to six O2- atoms to form edge-sharing MoO6 octahedra. There are a spread of Mo–O bond distances ranging from 2.06–2.13 Å. In the third Mo4+ site, Mo4+ is bonded to six O2- atoms to form edge-sharing MoO6 octahedra. There are four shorter (2.06 Å) and two longer (2.15 Å) Mo–O bond lengths. In the fourth Mo4+ site, Mo4+ is bonded to six O2- atoms to form edge-sharing MoO6 octahedra. There are a spread of Mo–O bond distances ranging from 2.06–2.13 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three Mo4+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three Mo4+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three Mo4+ atoms. In the fourth O2-more » site, O2- is bonded in a distorted trigonal non-coplanar geometry to three Mo4+ atoms.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-635966
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; MoO2; Mo-O
OSTI Identifier:
1279552
DOI:
10.17188/1279552

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on MoO2 by Materials Project. United States: N. p., 2014. Web. doi:10.17188/1279552.
Persson, Kristin, & Project, Materials. Materials Data on MoO2 by Materials Project. United States. doi:10.17188/1279552.
Persson, Kristin, and Project, Materials. 2014. "Materials Data on MoO2 by Materials Project". United States. doi:10.17188/1279552. https://www.osti.gov/servlets/purl/1279552. Pub date:Sun May 18 00:00:00 EDT 2014
@article{osti_1279552,
title = {Materials Data on MoO2 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {MoO2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are four inequivalent Mo4+ sites. In the first Mo4+ site, Mo4+ is bonded to six O2- atoms to form edge-sharing MoO6 octahedra. There are a spread of Mo–O bond distances ranging from 2.06–2.14 Å. In the second Mo4+ site, Mo4+ is bonded to six O2- atoms to form edge-sharing MoO6 octahedra. There are a spread of Mo–O bond distances ranging from 2.06–2.13 Å. In the third Mo4+ site, Mo4+ is bonded to six O2- atoms to form edge-sharing MoO6 octahedra. There are four shorter (2.06 Å) and two longer (2.15 Å) Mo–O bond lengths. In the fourth Mo4+ site, Mo4+ is bonded to six O2- atoms to form edge-sharing MoO6 octahedra. There are a spread of Mo–O bond distances ranging from 2.06–2.13 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three Mo4+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three Mo4+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three Mo4+ atoms. In the fourth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three Mo4+ atoms.},
doi = {10.17188/1279552},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2014},
month = {5}
}

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