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Title: Materials Data on SrBr2 by Materials Project

Abstract

SrBr2 crystallizes in the tetragonal P4/n space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 8-coordinate geometry to eight Br1- atoms. There are a spread of Sr–Br bond distances ranging from 3.15–3.65 Å. In the second Sr2+ site, Sr2+ is bonded in a 8-coordinate geometry to eight Br1- atoms. There are four shorter (3.18 Å) and four longer (3.20 Å) Sr–Br bond lengths. There are four inequivalent Br1- sites. In the first Br1- site, Br1- is bonded to four Sr2+ atoms to form a mixture of distorted edge and corner-sharing BrSr4 trigonal pyramids. In the second Br1- site, Br1- is bonded to four equivalent Sr2+ atoms to form a mixture of edge and corner-sharing BrSr4 tetrahedra. In the third Br1- site, Br1- is bonded in a 4-coordinate geometry to four Sr2+ atoms. In the fourth Br1- site, Br1- is bonded to four equivalent Sr2+ atoms to form a mixture of edge and corner-sharing BrSr4 tetrahedra.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-32711
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; SrBr2; Br-Sr
OSTI Identifier:
1206360
DOI:
10.17188/1206360

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on SrBr2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1206360.
Persson, Kristin, & Project, Materials. Materials Data on SrBr2 by Materials Project. United States. doi:10.17188/1206360.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on SrBr2 by Materials Project". United States. doi:10.17188/1206360. https://www.osti.gov/servlets/purl/1206360. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1206360,
title = {Materials Data on SrBr2 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {SrBr2 crystallizes in the tetragonal P4/n space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 8-coordinate geometry to eight Br1- atoms. There are a spread of Sr–Br bond distances ranging from 3.15–3.65 Å. In the second Sr2+ site, Sr2+ is bonded in a 8-coordinate geometry to eight Br1- atoms. There are four shorter (3.18 Å) and four longer (3.20 Å) Sr–Br bond lengths. There are four inequivalent Br1- sites. In the first Br1- site, Br1- is bonded to four Sr2+ atoms to form a mixture of distorted edge and corner-sharing BrSr4 trigonal pyramids. In the second Br1- site, Br1- is bonded to four equivalent Sr2+ atoms to form a mixture of edge and corner-sharing BrSr4 tetrahedra. In the third Br1- site, Br1- is bonded in a 4-coordinate geometry to four Sr2+ atoms. In the fourth Br1- site, Br1- is bonded to four equivalent Sr2+ atoms to form a mixture of edge and corner-sharing BrSr4 tetrahedra.},
doi = {10.17188/1206360},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

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