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Title: Materials Data on Co3ReB4 by Materials Project

Abstract

ReCo3B4 crystallizes in the monoclinic Pm space group. The structure is three-dimensional. Re3+ is bonded in a 7-coordinate geometry to seven B+1.50- atoms. There are a spread of Re–B bond distances ranging from 2.22–2.28 Å. There are three inequivalent Co1+ sites. In the first Co1+ site, Co1+ is bonded in a 7-coordinate geometry to seven B+1.50- atoms. There are a spread of Co–B bond distances ranging from 2.12–2.19 Å. In the second Co1+ site, Co1+ is bonded in a 7-coordinate geometry to seven B+1.50- atoms. There are a spread of Co–B bond distances ranging from 2.08–2.26 Å. In the third Co1+ site, Co1+ is bonded in a 7-coordinate geometry to seven B+1.50- atoms. There are a spread of Co–B bond distances ranging from 2.15–2.31 Å. There are four inequivalent B+1.50- sites. In the first B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to two equivalent Re3+, five Co1+, and two equivalent B+1.50- atoms. Both B–B bond lengths are 1.82 Å. In the second B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to one Re3+, six Co1+, and two equivalent B+1.50- atoms. Both B–B bond lengths are 1.84 Å. In the third B+1.50- site, B+1.50- is bonded in amore » 9-coordinate geometry to two equivalent Re3+, five Co1+, and two equivalent B+1.50- atoms. In the fourth B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to two equivalent Re3+, five Co1+, and two equivalent B+1.50- atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-1226435
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; Co3ReB4; B-Co-Re
OSTI Identifier:
1683921
DOI:
https://doi.org/10.17188/1683921

Citation Formats

The Materials Project. Materials Data on Co3ReB4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1683921.
The Materials Project. Materials Data on Co3ReB4 by Materials Project. United States. doi:https://doi.org/10.17188/1683921
The Materials Project. 2020. "Materials Data on Co3ReB4 by Materials Project". United States. doi:https://doi.org/10.17188/1683921. https://www.osti.gov/servlets/purl/1683921. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1683921,
title = {Materials Data on Co3ReB4 by Materials Project},
author = {The Materials Project},
abstractNote = {ReCo3B4 crystallizes in the monoclinic Pm space group. The structure is three-dimensional. Re3+ is bonded in a 7-coordinate geometry to seven B+1.50- atoms. There are a spread of Re–B bond distances ranging from 2.22–2.28 Å. There are three inequivalent Co1+ sites. In the first Co1+ site, Co1+ is bonded in a 7-coordinate geometry to seven B+1.50- atoms. There are a spread of Co–B bond distances ranging from 2.12–2.19 Å. In the second Co1+ site, Co1+ is bonded in a 7-coordinate geometry to seven B+1.50- atoms. There are a spread of Co–B bond distances ranging from 2.08–2.26 Å. In the third Co1+ site, Co1+ is bonded in a 7-coordinate geometry to seven B+1.50- atoms. There are a spread of Co–B bond distances ranging from 2.15–2.31 Å. There are four inequivalent B+1.50- sites. In the first B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to two equivalent Re3+, five Co1+, and two equivalent B+1.50- atoms. Both B–B bond lengths are 1.82 Å. In the second B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to one Re3+, six Co1+, and two equivalent B+1.50- atoms. Both B–B bond lengths are 1.84 Å. In the third B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to two equivalent Re3+, five Co1+, and two equivalent B+1.50- atoms. In the fourth B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to two equivalent Re3+, five Co1+, and two equivalent B+1.50- atoms.},
doi = {10.17188/1683921},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}