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Title: Materials Data on MnReB2 by Materials Project

Abstract

ReMnB2 crystallizes in the orthorhombic Pmc2_1 space group. The structure is three-dimensional. Re4+ is bonded in a 7-coordinate geometry to seven B3- atoms. There are a spread of Re–B bond distances ranging from 2.26–2.35 Å. Mn2+ is bonded in a 7-coordinate geometry to seven B3- atoms. There are a spread of Mn–B bond distances ranging from 2.18–2.45 Å. There are two inequivalent B3- sites. In the first B3- site, B3- is bonded in a 9-coordinate geometry to four equivalent Re4+, three equivalent Mn2+, and two equivalent B3- atoms. Both B–B bond lengths are 1.82 Å. In the second B3- site, B3- is bonded in a 9-coordinate geometry to three equivalent Re4+, four equivalent Mn2+, and two equivalent B3- atoms.

Authors:
Publication Date:
Other Number(s):
mp-1221600
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; MnReB2; B-Mn-Re
OSTI Identifier:
1738650
DOI:
https://doi.org/10.17188/1738650

Citation Formats

The Materials Project. Materials Data on MnReB2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1738650.
The Materials Project. Materials Data on MnReB2 by Materials Project. United States. doi:https://doi.org/10.17188/1738650
The Materials Project. 2020. "Materials Data on MnReB2 by Materials Project". United States. doi:https://doi.org/10.17188/1738650. https://www.osti.gov/servlets/purl/1738650. Pub date:Mon May 04 00:00:00 EDT 2020
@article{osti_1738650,
title = {Materials Data on MnReB2 by Materials Project},
author = {The Materials Project},
abstractNote = {ReMnB2 crystallizes in the orthorhombic Pmc2_1 space group. The structure is three-dimensional. Re4+ is bonded in a 7-coordinate geometry to seven B3- atoms. There are a spread of Re–B bond distances ranging from 2.26–2.35 Å. Mn2+ is bonded in a 7-coordinate geometry to seven B3- atoms. There are a spread of Mn–B bond distances ranging from 2.18–2.45 Å. There are two inequivalent B3- sites. In the first B3- site, B3- is bonded in a 9-coordinate geometry to four equivalent Re4+, three equivalent Mn2+, and two equivalent B3- atoms. Both B–B bond lengths are 1.82 Å. In the second B3- site, B3- is bonded in a 9-coordinate geometry to three equivalent Re4+, four equivalent Mn2+, and two equivalent B3- atoms.},
doi = {10.17188/1738650},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}