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Title: Materials Data on Co3Mo3N by Materials Project

Abstract

Co3Mo3N crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Mo is bonded in a 2-coordinate geometry to six Co and two equivalent N atoms. There are a spread of Mo–Co bond distances ranging from 2.67–2.73 Å. Both Mo–N bond lengths are 2.13 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded to six equivalent Mo and six equivalent Co atoms to form CoCo6Mo6 cuboctahedra that share edges with six equivalent NMo6 octahedra and faces with six equivalent CoCo6Mo6 cuboctahedra. All Co–Co bond lengths are 2.37 Å. In the second Co site, Co is bonded in a 12-coordinate geometry to six equivalent Mo and six Co atoms. All Co–Co bond lengths are 2.51 Å. N is bonded to six equivalent Mo atoms to form NMo6 octahedra that share corners with six equivalent NMo6 octahedra and edges with six equivalent CoCo6Mo6 cuboctahedra. The corner-sharing octahedral tilt angles are 47°.

Publication Date:
Other Number(s):
mp-22166
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; Co3Mo3N; Co-Mo-N
OSTI Identifier:
1197392
DOI:
10.17188/1197392

Citation Formats

The Materials Project. Materials Data on Co3Mo3N by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1197392.
The Materials Project. Materials Data on Co3Mo3N by Materials Project. United States. doi:10.17188/1197392.
The Materials Project. 2020. "Materials Data on Co3Mo3N by Materials Project". United States. doi:10.17188/1197392. https://www.osti.gov/servlets/purl/1197392. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1197392,
title = {Materials Data on Co3Mo3N by Materials Project},
author = {The Materials Project},
abstractNote = {Co3Mo3N crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Mo is bonded in a 2-coordinate geometry to six Co and two equivalent N atoms. There are a spread of Mo–Co bond distances ranging from 2.67–2.73 Å. Both Mo–N bond lengths are 2.13 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded to six equivalent Mo and six equivalent Co atoms to form CoCo6Mo6 cuboctahedra that share edges with six equivalent NMo6 octahedra and faces with six equivalent CoCo6Mo6 cuboctahedra. All Co–Co bond lengths are 2.37 Å. In the second Co site, Co is bonded in a 12-coordinate geometry to six equivalent Mo and six Co atoms. All Co–Co bond lengths are 2.51 Å. N is bonded to six equivalent Mo atoms to form NMo6 octahedra that share corners with six equivalent NMo6 octahedra and edges with six equivalent CoCo6Mo6 cuboctahedra. The corner-sharing octahedral tilt angles are 47°.},
doi = {10.17188/1197392},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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