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Title: Materials Data on SrPb2Br6O5 by Materials Project

Abstract

SrPb2O5Br6 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Sr2+ is bonded in a 5-coordinate geometry to seven O2- atoms. There are a spread of Sr–O bond distances ranging from 2.53–2.90 Å. Pb4+ is bonded in a single-bond geometry to one O2- and one Br atom. The Pb–O bond length is 2.53 Å. The Pb–Br bond length is 2.86 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Sr2+ and one O2- atom. The O–O bond length is 1.31 Å. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Sr2+, one Pb4+, and one Br atom. The O–Br bond length is 1.81 Å. In the third O2- site, O2- is bonded in a distorted square pyramidal geometry to one Sr2+ and four Br atoms. There are two shorter (2.80 Å) and two longer (2.86 Å) O–Br bond lengths. There are three inequivalent Br sites. In the first Br site, Br is bonded in a single-bond geometry to one O2- atom. In the second Br site, Br is bonded in a 1-coordinate geometry to one Pb4+ and one O2- atom.more » In the third Br site, Br is bonded in a single-bond geometry to one O2- atom.« less

Publication Date:
Other Number(s):
mp-1209193
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; SrPb2Br6O5; Br-O-Pb-Sr
OSTI Identifier:
1685854
DOI:
https://doi.org/10.17188/1685854

Citation Formats

The Materials Project. Materials Data on SrPb2Br6O5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1685854.
The Materials Project. Materials Data on SrPb2Br6O5 by Materials Project. United States. doi:https://doi.org/10.17188/1685854
The Materials Project. 2020. "Materials Data on SrPb2Br6O5 by Materials Project". United States. doi:https://doi.org/10.17188/1685854. https://www.osti.gov/servlets/purl/1685854. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1685854,
title = {Materials Data on SrPb2Br6O5 by Materials Project},
author = {The Materials Project},
abstractNote = {SrPb2O5Br6 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Sr2+ is bonded in a 5-coordinate geometry to seven O2- atoms. There are a spread of Sr–O bond distances ranging from 2.53–2.90 Å. Pb4+ is bonded in a single-bond geometry to one O2- and one Br atom. The Pb–O bond length is 2.53 Å. The Pb–Br bond length is 2.86 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Sr2+ and one O2- atom. The O–O bond length is 1.31 Å. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Sr2+, one Pb4+, and one Br atom. The O–Br bond length is 1.81 Å. In the third O2- site, O2- is bonded in a distorted square pyramidal geometry to one Sr2+ and four Br atoms. There are two shorter (2.80 Å) and two longer (2.86 Å) O–Br bond lengths. There are three inequivalent Br sites. In the first Br site, Br is bonded in a single-bond geometry to one O2- atom. In the second Br site, Br is bonded in a 1-coordinate geometry to one Pb4+ and one O2- atom. In the third Br site, Br is bonded in a single-bond geometry to one O2- atom.},
doi = {10.17188/1685854},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}