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Title: Materials Data on Cr2B3 by Materials Project

Abstract

Cr2B3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Cr+4.50+ sites. In the first Cr+4.50+ site, Cr+4.50+ is bonded to twelve B3- atoms to form a mixture of edge and face-sharing CrB12 cuboctahedra. There are a spread of Cr–B bond distances ranging from 2.25–2.34 Å. In the second Cr+4.50+ site, Cr+4.50+ is bonded in a 7-coordinate geometry to seven B3- atoms. There are a spread of Cr–B bond distances ranging from 2.12–2.26 Å. There are three inequivalent B3- sites. In the first B3- site, B3- is bonded in a 9-coordinate geometry to six equivalent Cr+4.50+ and three B3- atoms. There is two shorter (1.71 Å) and one longer (1.73 Å) B–B bond length. In the second B3- site, B3- is bonded in a 9-coordinate geometry to six Cr+4.50+ and three B3- atoms. Both B–B bond lengths are 1.77 Å. In the third B3- site, B3- is bonded in a 9-coordinate geometry to seven Cr+4.50+ and two equivalent B3- atoms.

Publication Date:
Other Number(s):
mp-12054
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; Cr2B3; B-Cr
OSTI Identifier:
1188537
DOI:
https://doi.org/10.17188/1188537

Citation Formats

The Materials Project. Materials Data on Cr2B3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1188537.
The Materials Project. Materials Data on Cr2B3 by Materials Project. United States. doi:https://doi.org/10.17188/1188537
The Materials Project. 2020. "Materials Data on Cr2B3 by Materials Project". United States. doi:https://doi.org/10.17188/1188537. https://www.osti.gov/servlets/purl/1188537. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1188537,
title = {Materials Data on Cr2B3 by Materials Project},
author = {The Materials Project},
abstractNote = {Cr2B3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Cr+4.50+ sites. In the first Cr+4.50+ site, Cr+4.50+ is bonded to twelve B3- atoms to form a mixture of edge and face-sharing CrB12 cuboctahedra. There are a spread of Cr–B bond distances ranging from 2.25–2.34 Å. In the second Cr+4.50+ site, Cr+4.50+ is bonded in a 7-coordinate geometry to seven B3- atoms. There are a spread of Cr–B bond distances ranging from 2.12–2.26 Å. There are three inequivalent B3- sites. In the first B3- site, B3- is bonded in a 9-coordinate geometry to six equivalent Cr+4.50+ and three B3- atoms. There is two shorter (1.71 Å) and one longer (1.73 Å) B–B bond length. In the second B3- site, B3- is bonded in a 9-coordinate geometry to six Cr+4.50+ and three B3- atoms. Both B–B bond lengths are 1.77 Å. In the third B3- site, B3- is bonded in a 9-coordinate geometry to seven Cr+4.50+ and two equivalent B3- atoms.},
doi = {10.17188/1188537},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}