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Title: Materials Data on SrLaBr5 by Materials Project

Abstract

SrLaBr5 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Sr2+ is bonded to seven Br1- atoms to form distorted edge-sharing SrBr7 pentagonal bipyramids. There are a spread of Sr–Br bond distances ranging from 3.03–3.46 Å. La3+ is bonded in a 8-coordinate geometry to eight Br1- atoms. There are a spread of La–Br bond distances ranging from 3.06–3.19 Å. There are five inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 3-coordinate geometry to one Sr2+ and two equivalent La3+ atoms. In the second Br1- site, Br1- is bonded in a trigonal non-coplanar geometry to three equivalent La3+ atoms. In the third Br1- site, Br1- is bonded in a distorted trigonal non-coplanar geometry to three equivalent Sr2+ atoms. In the fourth Br1- site, Br1- is bonded in a 3-coordinate geometry to one Sr2+ and two equivalent La3+ atoms. In the fifth Br1- site, Br1- is bonded in a 3-coordinate geometry to two equivalent Sr2+ and one La3+ atom.

Publication Date:
Other Number(s):
mp-756439
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; SrLaBr5; Br-La-Sr
OSTI Identifier:
1290513
DOI:
https://doi.org/10.17188/1290513

Citation Formats

The Materials Project. Materials Data on SrLaBr5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1290513.
The Materials Project. Materials Data on SrLaBr5 by Materials Project. United States. doi:https://doi.org/10.17188/1290513
The Materials Project. 2020. "Materials Data on SrLaBr5 by Materials Project". United States. doi:https://doi.org/10.17188/1290513. https://www.osti.gov/servlets/purl/1290513. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1290513,
title = {Materials Data on SrLaBr5 by Materials Project},
author = {The Materials Project},
abstractNote = {SrLaBr5 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Sr2+ is bonded to seven Br1- atoms to form distorted edge-sharing SrBr7 pentagonal bipyramids. There are a spread of Sr–Br bond distances ranging from 3.03–3.46 Å. La3+ is bonded in a 8-coordinate geometry to eight Br1- atoms. There are a spread of La–Br bond distances ranging from 3.06–3.19 Å. There are five inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 3-coordinate geometry to one Sr2+ and two equivalent La3+ atoms. In the second Br1- site, Br1- is bonded in a trigonal non-coplanar geometry to three equivalent La3+ atoms. In the third Br1- site, Br1- is bonded in a distorted trigonal non-coplanar geometry to three equivalent Sr2+ atoms. In the fourth Br1- site, Br1- is bonded in a 3-coordinate geometry to one Sr2+ and two equivalent La3+ atoms. In the fifth Br1- site, Br1- is bonded in a 3-coordinate geometry to two equivalent Sr2+ and one La3+ atom.},
doi = {10.17188/1290513},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}