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Title: Materials Data on SrH2Br2O by Materials Project

Abstract

SrH2OBr2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sr2+ is bonded in a 2-coordinate geometry to two equivalent O2- and seven Br1- atoms. Both Sr–O bond lengths are 2.69 Å. There are a spread of Sr–Br bond distances ranging from 3.19–3.54 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. O2- is bonded in a water-like geometry to two equivalent Sr2+ and two H1+ atoms. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 3-coordinate geometry to four equivalent Sr2+ atoms. In the second Br1- site, Br1- is bonded in a 3-coordinate geometry to three equivalent Sr2+ atoms.

Publication Date:
Other Number(s):
mp-643356
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; SrH2Br2O; Br-H-O-Sr
OSTI Identifier:
1280294
DOI:
10.17188/1280294

Citation Formats

The Materials Project. Materials Data on SrH2Br2O by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1280294.
The Materials Project. Materials Data on SrH2Br2O by Materials Project. United States. doi:10.17188/1280294.
The Materials Project. 2020. "Materials Data on SrH2Br2O by Materials Project". United States. doi:10.17188/1280294. https://www.osti.gov/servlets/purl/1280294. Pub date:Fri Jul 24 00:00:00 EDT 2020
@article{osti_1280294,
title = {Materials Data on SrH2Br2O by Materials Project},
author = {The Materials Project},
abstractNote = {SrH2OBr2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sr2+ is bonded in a 2-coordinate geometry to two equivalent O2- and seven Br1- atoms. Both Sr–O bond lengths are 2.69 Å. There are a spread of Sr–Br bond distances ranging from 3.19–3.54 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. O2- is bonded in a water-like geometry to two equivalent Sr2+ and two H1+ atoms. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 3-coordinate geometry to four equivalent Sr2+ atoms. In the second Br1- site, Br1- is bonded in a 3-coordinate geometry to three equivalent Sr2+ atoms.},
doi = {10.17188/1280294},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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