skip to main content
OSTI.GOV title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on CaBr2 by Materials Project

Abstract

CaBr2 is Rutile structured and crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. Ca2+ is bonded to six equivalent Br1- atoms to form a mixture of edge and corner-sharing CaBr6 octahedra. The corner-sharing octahedral tilt angles are 49°. There are four shorter (2.92 Å) and two longer (2.94 Å) Ca–Br bond lengths. Br1- is bonded in a distorted trigonal planar geometry to three equivalent Ca2+ atoms.

Authors:
Publication Date:
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)
Contributing Org.:
MIT; UC Berkeley; Duke; U Louvain
OSTI Identifier:
1276116
Report Number(s):
mp-571166
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Resource Type:
Data
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; crystal structure; CaBr2; Br-Ca

Citation Formats

The Materials Project. Materials Data on CaBr2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1276116.
The Materials Project. Materials Data on CaBr2 by Materials Project. United States. https://doi.org/10.17188/1276116
The Materials Project. 2020. "Materials Data on CaBr2 by Materials Project". United States. https://doi.org/10.17188/1276116. https://www.osti.gov/servlets/purl/1276116.
@article{osti_1276116,
title = {Materials Data on CaBr2 by Materials Project},
author = {The Materials Project},
abstractNote = {CaBr2 is Rutile structured and crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. Ca2+ is bonded to six equivalent Br1- atoms to form a mixture of edge and corner-sharing CaBr6 octahedra. The corner-sharing octahedral tilt angles are 49°. There are four shorter (2.92 Å) and two longer (2.94 Å) Ca–Br bond lengths. Br1- is bonded in a distorted trigonal planar geometry to three equivalent Ca2+ atoms.},
doi = {10.17188/1276116},
url = {https://www.osti.gov/biblio/1276116}, journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Jul 16 00:00:00 EDT 2020},
month = {Thu Jul 16 00:00:00 EDT 2020}
}