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Title: Materials Data on CrB4Mo by Materials Project

Abstract

MoCrB4 is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Mo3+ is bonded to twelve equivalent B+1.50- atoms to form MoB12 cuboctahedra that share edges with twelve equivalent CrB12 cuboctahedra, faces with two equivalent CrB12 cuboctahedra, and faces with six equivalent MoB12 cuboctahedra. All Mo–B bond lengths are 2.41 Å. Cr3+ is bonded to twelve equivalent B+1.50- atoms to form CrB12 cuboctahedra that share edges with twelve equivalent MoB12 cuboctahedra, faces with two equivalent MoB12 cuboctahedra, and faces with six equivalent CrB12 cuboctahedra. All Cr–B bond lengths are 2.28 Å. B+1.50- is bonded in a 9-coordinate geometry to three equivalent Mo3+, three equivalent Cr3+, and three equivalent B+1.50- atoms. All B–B bond lengths are 1.74 Å.

Publication Date:
Other Number(s):
mp-1226219
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; CrB4Mo; B-Cr-Mo
OSTI Identifier:
1759624
DOI:
https://doi.org/10.17188/1759624

Citation Formats

The Materials Project. Materials Data on CrB4Mo by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1759624.
The Materials Project. Materials Data on CrB4Mo by Materials Project. United States. doi:https://doi.org/10.17188/1759624
The Materials Project. 2020. "Materials Data on CrB4Mo by Materials Project". United States. doi:https://doi.org/10.17188/1759624. https://www.osti.gov/servlets/purl/1759624. Pub date:Thu Sep 03 00:00:00 EDT 2020
@article{osti_1759624,
title = {Materials Data on CrB4Mo by Materials Project},
author = {The Materials Project},
abstractNote = {MoCrB4 is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Mo3+ is bonded to twelve equivalent B+1.50- atoms to form MoB12 cuboctahedra that share edges with twelve equivalent CrB12 cuboctahedra, faces with two equivalent CrB12 cuboctahedra, and faces with six equivalent MoB12 cuboctahedra. All Mo–B bond lengths are 2.41 Å. Cr3+ is bonded to twelve equivalent B+1.50- atoms to form CrB12 cuboctahedra that share edges with twelve equivalent MoB12 cuboctahedra, faces with two equivalent MoB12 cuboctahedra, and faces with six equivalent CrB12 cuboctahedra. All Cr–B bond lengths are 2.28 Å. B+1.50- is bonded in a 9-coordinate geometry to three equivalent Mo3+, three equivalent Cr3+, and three equivalent B+1.50- atoms. All B–B bond lengths are 1.74 Å.},
doi = {10.17188/1759624},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {9}
}