U.S. Department of EnergyOffice of Scientific and Technical Information
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 »
- 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}
}