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Title: Materials Data on Co2B4Mo by Materials Project

Abstract

MoCo2B4 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Mo2+ is bonded to twelve B+1.50- atoms to form a mixture of edge and face-sharing MoB12 cuboctahedra. There are eight shorter (2.35 Å) and four longer (2.43 Å) Mo–B bond lengths. Co2+ is bonded in a 7-coordinate geometry to seven B+1.50- atoms. There are a spread of Co–B bond distances ranging from 2.03–2.20 Å. There are two inequivalent B+1.50- sites. In the first B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Mo2+, two equivalent Co2+, and three B+1.50- atoms. There is two shorter (1.79 Å) and one longer (1.87 Å) B–B bond length. In the second B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to two equivalent Mo2+, five equivalent Co2+, and two equivalent B+1.50- atoms.

Publication Date:
Other Number(s):
mp-10055
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; Co2B4Mo; B-Co-Mo
OSTI Identifier:
1185086
DOI:
10.17188/1185086

Citation Formats

The Materials Project. Materials Data on Co2B4Mo by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1185086.
The Materials Project. Materials Data on Co2B4Mo by Materials Project. United States. doi:10.17188/1185086.
The Materials Project. 2020. "Materials Data on Co2B4Mo by Materials Project". United States. doi:10.17188/1185086. https://www.osti.gov/servlets/purl/1185086. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1185086,
title = {Materials Data on Co2B4Mo by Materials Project},
author = {The Materials Project},
abstractNote = {MoCo2B4 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Mo2+ is bonded to twelve B+1.50- atoms to form a mixture of edge and face-sharing MoB12 cuboctahedra. There are eight shorter (2.35 Å) and four longer (2.43 Å) Mo–B bond lengths. Co2+ is bonded in a 7-coordinate geometry to seven B+1.50- atoms. There are a spread of Co–B bond distances ranging from 2.03–2.20 Å. There are two inequivalent B+1.50- sites. In the first B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Mo2+, two equivalent Co2+, and three B+1.50- atoms. There is two shorter (1.79 Å) and one longer (1.87 Å) B–B bond length. In the second B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to two equivalent Mo2+, five equivalent Co2+, and two equivalent B+1.50- atoms.},
doi = {10.17188/1185086},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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