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Title: Materials Data on CrFeB2 by Materials Project

Abstract

FeBCrB crystallizes in the orthorhombic Pmc2_1 space group. The structure is three-dimensional. Cr3+ is bonded in a 7-coordinate geometry to seven B3- atoms. There are a spread of Cr–B bond distances ranging from 2.15–2.21 Å. Fe3+ is bonded in a 7-coordinate geometry to seven B3- atoms. There are a spread of Fe–B bond distances ranging from 2.15–2.23 Å. There are two inequivalent B3- sites. In the first B3- site, B3- is bonded in a 9-coordinate geometry to three equivalent Cr3+, four equivalent Fe3+, and two equivalent B3- atoms. Both B–B bond lengths are 1.78 Å. In the second B3- site, B3- is bonded in a 9-coordinate geometry to four equivalent Cr3+, three equivalent Fe3+, and two equivalent B3- atoms.

Publication Date:
Other Number(s):
mp-1226310
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; CrFeB2; B-Cr-Fe
OSTI Identifier:
1677874
DOI:
https://doi.org/10.17188/1677874

Citation Formats

The Materials Project. Materials Data on CrFeB2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1677874.
The Materials Project. Materials Data on CrFeB2 by Materials Project. United States. doi:https://doi.org/10.17188/1677874
The Materials Project. 2020. "Materials Data on CrFeB2 by Materials Project". United States. doi:https://doi.org/10.17188/1677874. https://www.osti.gov/servlets/purl/1677874. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1677874,
title = {Materials Data on CrFeB2 by Materials Project},
author = {The Materials Project},
abstractNote = {FeBCrB crystallizes in the orthorhombic Pmc2_1 space group. The structure is three-dimensional. Cr3+ is bonded in a 7-coordinate geometry to seven B3- atoms. There are a spread of Cr–B bond distances ranging from 2.15–2.21 Å. Fe3+ is bonded in a 7-coordinate geometry to seven B3- atoms. There are a spread of Fe–B bond distances ranging from 2.15–2.23 Å. There are two inequivalent B3- sites. In the first B3- site, B3- is bonded in a 9-coordinate geometry to three equivalent Cr3+, four equivalent Fe3+, and two equivalent B3- atoms. Both B–B bond lengths are 1.78 Å. In the second B3- site, B3- is bonded in a 9-coordinate geometry to four equivalent Cr3+, three equivalent Fe3+, and two equivalent B3- atoms.},
doi = {10.17188/1677874},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}