Title: Materials Data on CuBr by Materials Project

Abstract

CuBr is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cu1+ is bonded to six equivalent Br1- atoms to form a mixture of edge and corner-sharing CuBr6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Cu–Br bond lengths are 2.68 Å. Br1- is bonded to six equivalent Cu1+ atoms to form a mixture of edge and corner-sharing BrCu6 octahedra. The corner-sharing octahedral tilt angles are 0°.

Publication Date:
Other Number(s):
mp-570354
DOE Contract Number:  
AC02-05CH11231;
Research Org.:
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Collaborations:
The Materials Project; MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE; Br-Cu; crystal structure; CuBr
OSTI Identifier:
1275649
DOI:
https://doi.org/10.17188/1275649

Citation Formats

Materials Data on CuBr by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1275649.
Materials Data on CuBr by Materials Project. United States. doi:https://doi.org/10.17188/1275649
2020. "Materials Data on CuBr by Materials Project". United States. doi:https://doi.org/10.17188/1275649. https://www.osti.gov/servlets/purl/1275649. Pub date:Mon Jul 13 20:00:00 EDT 2020
@article{osti_1275649,
title = {Materials Data on CuBr by Materials Project},
abstractNote = {CuBr is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cu1+ is bonded to six equivalent Br1- atoms to form a mixture of edge and corner-sharing CuBr6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Cu–Br bond lengths are 2.68 Å. Br1- is bonded to six equivalent Cu1+ atoms to form a mixture of edge and corner-sharing BrCu6 octahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1275649},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}