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Title: Materials Data on Co6Mo6C by Materials Project

Abstract

Co6Mo6C crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Mo is bonded in a distorted single-bond geometry to six Co and one C atom. There are a spread of Mo–Co bond distances ranging from 2.59–2.72 Å. The Mo–C bond length is 2.15 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 12-coordinate geometry to six equivalent Mo and six Co atoms. There are three shorter (2.35 Å) and three longer (2.54 Å) Co–Co bond lengths. In the second Co site, Co is bonded to six equivalent Mo and six equivalent Co atoms to form CoCo6Mo6 cuboctahedra that share corners with six equivalent CMo6 octahedra and faces with six equivalent CoCo6Mo6 cuboctahedra. The corner-sharing octahedral tilt angles are 45°. C is bonded to six equivalent Mo atoms to form CMo6 octahedra that share corners with twelve equivalent CoCo6Mo6 cuboctahedra.

Authors:
Publication Date:
Other Number(s):
mp-1193869
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; Co6Mo6C; C-Co-Mo
OSTI Identifier:
1738434
DOI:
https://doi.org/10.17188/1738434

Citation Formats

The Materials Project. Materials Data on Co6Mo6C by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1738434.
The Materials Project. Materials Data on Co6Mo6C by Materials Project. United States. doi:https://doi.org/10.17188/1738434
The Materials Project. 2020. "Materials Data on Co6Mo6C by Materials Project". United States. doi:https://doi.org/10.17188/1738434. https://www.osti.gov/servlets/purl/1738434. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1738434,
title = {Materials Data on Co6Mo6C by Materials Project},
author = {The Materials Project},
abstractNote = {Co6Mo6C crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Mo is bonded in a distorted single-bond geometry to six Co and one C atom. There are a spread of Mo–Co bond distances ranging from 2.59–2.72 Å. The Mo–C bond length is 2.15 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 12-coordinate geometry to six equivalent Mo and six Co atoms. There are three shorter (2.35 Å) and three longer (2.54 Å) Co–Co bond lengths. In the second Co site, Co is bonded to six equivalent Mo and six equivalent Co atoms to form CoCo6Mo6 cuboctahedra that share corners with six equivalent CMo6 octahedra and faces with six equivalent CoCo6Mo6 cuboctahedra. The corner-sharing octahedral tilt angles are 45°. C is bonded to six equivalent Mo atoms to form CMo6 octahedra that share corners with twelve equivalent CoCo6Mo6 cuboctahedra.},
doi = {10.17188/1738434},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}