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Title: Materials Data on CrRe3B4 by Materials Project

Abstract

CrRe3B4 is delta Molybdenum Boride-derived structured and crystallizes in the orthorhombic Imm2 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 2.19–2.54 Å. There are three inequivalent Re3+ sites. In the first Re3+ site, Re3+ is bonded in a 7-coordinate geometry to seven B3- atoms. There are a spread of Re–B bond distances ranging from 2.25–2.74 Å. In the second Re3+ site, Re3+ is bonded in a 7-coordinate geometry to seven B3- atoms. There are a spread of Re–B bond distances ranging from 2.26–2.37 Å. In the third Re3+ site, Re3+ is bonded in a 7-coordinate geometry to seven B3- atoms. There are a spread of Re–B bond distances ranging from 2.25–2.75 Å. There are four inequivalent B3- sites. In the first B3- site, B3- is bonded in a 9-coordinate geometry to one Cr3+, six Re3+, and two equivalent B3- atoms. Both B–B bond lengths are 1.86 Å. In the second B3- site, B3- is bonded in a 9-coordinate geometry to seven Re3+ and two equivalent B3- atoms. In the third B3- site, B3- is bonded in a 9-coordinate geometry to fourmore » equivalent Cr3+, three Re3+, and two equivalent B3- atoms. Both B–B bond lengths are 1.82 Å. In the fourth B3- site, B3- is bonded in a 9-coordinate geometry to two equivalent Cr3+, five Re3+, and two equivalent B3- atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-1226262
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; CrRe3B4; B-Cr-Re
OSTI Identifier:
1739303
DOI:
https://doi.org/10.17188/1739303

Citation Formats

The Materials Project. Materials Data on CrRe3B4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1739303.
The Materials Project. Materials Data on CrRe3B4 by Materials Project. United States. doi:https://doi.org/10.17188/1739303
The Materials Project. 2020. "Materials Data on CrRe3B4 by Materials Project". United States. doi:https://doi.org/10.17188/1739303. https://www.osti.gov/servlets/purl/1739303. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1739303,
title = {Materials Data on CrRe3B4 by Materials Project},
author = {The Materials Project},
abstractNote = {CrRe3B4 is delta Molybdenum Boride-derived structured and crystallizes in the orthorhombic Imm2 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 2.19–2.54 Å. There are three inequivalent Re3+ sites. In the first Re3+ site, Re3+ is bonded in a 7-coordinate geometry to seven B3- atoms. There are a spread of Re–B bond distances ranging from 2.25–2.74 Å. In the second Re3+ site, Re3+ is bonded in a 7-coordinate geometry to seven B3- atoms. There are a spread of Re–B bond distances ranging from 2.26–2.37 Å. In the third Re3+ site, Re3+ is bonded in a 7-coordinate geometry to seven B3- atoms. There are a spread of Re–B bond distances ranging from 2.25–2.75 Å. There are four inequivalent B3- sites. In the first B3- site, B3- is bonded in a 9-coordinate geometry to one Cr3+, six Re3+, and two equivalent B3- atoms. Both B–B bond lengths are 1.86 Å. In the second B3- site, B3- is bonded in a 9-coordinate geometry to seven Re3+ and two equivalent B3- atoms. In the third B3- site, B3- is bonded in a 9-coordinate geometry to four equivalent Cr3+, three Re3+, and two equivalent B3- atoms. Both B–B bond lengths are 1.82 Å. In the fourth B3- site, B3- is bonded in a 9-coordinate geometry to two equivalent Cr3+, five Re3+, and two equivalent B3- atoms.},
doi = {10.17188/1739303},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}