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Title: Materials Data on Rh3Br by Materials Project

Abstract

Rh3Br is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 12-coordinate geometry to four equivalent Rh and four equivalent Br atoms. All Rh–Rh bond lengths are 2.78 Å. All Rh–Br bond lengths are 2.78 Å. In the second Rh site, Rh is bonded to eight equivalent Rh and four equivalent Br atoms to form RhRh8Br4 cuboctahedra that share corners with four equivalent RhRh8Br4 cuboctahedra, corners with eight equivalent BrRh12 cuboctahedra, edges with eight equivalent RhRh8Br4 cuboctahedra, faces with four equivalent RhRh8Br4 cuboctahedra, and faces with six equivalent BrRh12 cuboctahedra. All Rh–Br bond lengths are 2.90 Å. Br is bonded to twelve Rh atoms to form BrRh12 cuboctahedra that share corners with four equivalent BrRh12 cuboctahedra, corners with eight equivalent RhRh8Br4 cuboctahedra, edges with eight equivalent BrRh12 cuboctahedra, faces with four equivalent BrRh12 cuboctahedra, and faces with six equivalent RhRh8Br4 cuboctahedra.

Authors:
Publication Date:
Other Number(s):
mp-974371
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; Rh3Br; Br-Rh
OSTI Identifier:
1314467
DOI:
https://doi.org/10.17188/1314467

Citation Formats

The Materials Project. Materials Data on Rh3Br by Materials Project. United States: N. p., 2017. Web. doi:10.17188/1314467.
The Materials Project. Materials Data on Rh3Br by Materials Project. United States. doi:https://doi.org/10.17188/1314467
The Materials Project. 2017. "Materials Data on Rh3Br by Materials Project". United States. doi:https://doi.org/10.17188/1314467. https://www.osti.gov/servlets/purl/1314467. Pub date:Thu May 11 00:00:00 EDT 2017
@article{osti_1314467,
title = {Materials Data on Rh3Br by Materials Project},
author = {The Materials Project},
abstractNote = {Rh3Br is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 12-coordinate geometry to four equivalent Rh and four equivalent Br atoms. All Rh–Rh bond lengths are 2.78 Å. All Rh–Br bond lengths are 2.78 Å. In the second Rh site, Rh is bonded to eight equivalent Rh and four equivalent Br atoms to form RhRh8Br4 cuboctahedra that share corners with four equivalent RhRh8Br4 cuboctahedra, corners with eight equivalent BrRh12 cuboctahedra, edges with eight equivalent RhRh8Br4 cuboctahedra, faces with four equivalent RhRh8Br4 cuboctahedra, and faces with six equivalent BrRh12 cuboctahedra. All Rh–Br bond lengths are 2.90 Å. Br is bonded to twelve Rh atoms to form BrRh12 cuboctahedra that share corners with four equivalent BrRh12 cuboctahedra, corners with eight equivalent RhRh8Br4 cuboctahedra, edges with eight equivalent BrRh12 cuboctahedra, faces with four equivalent BrRh12 cuboctahedra, and faces with six equivalent RhRh8Br4 cuboctahedra.},
doi = {10.17188/1314467},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {5}
}