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Title: Materials Data on Sr5Zn(PbO4)3 by Materials Project

Abstract

Sr5Pb3ZnO12 crystallizes in the trigonal P31m space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.67–3.00 Å. In the second Sr2+ site, Sr2+ is bonded to seven O2- atoms to form distorted SrO7 pentagonal bipyramids that share corners with two equivalent PbO6 octahedra, corners with two equivalent SrO7 pentagonal bipyramids, edges with four equivalent PbO6 octahedra, and edges with two equivalent SrO7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 54°. There are a spread of Sr–O bond distances ranging from 2.41–2.72 Å. Zn2+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All Zn–O bond lengths are 1.88 Å. Pb4+ is bonded to six O2- atoms to form PbO6 octahedra that share corners with two equivalent SrO7 pentagonal bipyramids, edges with two equivalent PbO6 octahedra, and edges with four equivalent SrO7 pentagonal bipyramids. There are a spread of Pb–O bond distances ranging from 2.14–2.50 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Sr2+, one Zn2+, and twomore » equivalent Pb4+ atoms to form a mixture of distorted corner and edge-sharing OSr2ZnPb2 trigonal bipyramids. In the second O2- site, O2- is bonded to four Sr2+ and one Pb4+ atom to form a mixture of distorted corner and edge-sharing OSr4Pb trigonal bipyramids. In the third O2- site, O2- is bonded in a 5-coordinate geometry to three Sr2+ and two equivalent Pb4+ atoms.« less

Publication Date:
Other Number(s):
mp-1218569
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; Sr5Zn(PbO4)3; O-Pb-Sr-Zn
OSTI Identifier:
1655999
DOI:
https://doi.org/10.17188/1655999

Citation Formats

The Materials Project. Materials Data on Sr5Zn(PbO4)3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1655999.
The Materials Project. Materials Data on Sr5Zn(PbO4)3 by Materials Project. United States. doi:https://doi.org/10.17188/1655999
The Materials Project. 2020. "Materials Data on Sr5Zn(PbO4)3 by Materials Project". United States. doi:https://doi.org/10.17188/1655999. https://www.osti.gov/servlets/purl/1655999. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1655999,
title = {Materials Data on Sr5Zn(PbO4)3 by Materials Project},
author = {The Materials Project},
abstractNote = {Sr5Pb3ZnO12 crystallizes in the trigonal P31m space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.67–3.00 Å. In the second Sr2+ site, Sr2+ is bonded to seven O2- atoms to form distorted SrO7 pentagonal bipyramids that share corners with two equivalent PbO6 octahedra, corners with two equivalent SrO7 pentagonal bipyramids, edges with four equivalent PbO6 octahedra, and edges with two equivalent SrO7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 54°. There are a spread of Sr–O bond distances ranging from 2.41–2.72 Å. Zn2+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All Zn–O bond lengths are 1.88 Å. Pb4+ is bonded to six O2- atoms to form PbO6 octahedra that share corners with two equivalent SrO7 pentagonal bipyramids, edges with two equivalent PbO6 octahedra, and edges with four equivalent SrO7 pentagonal bipyramids. There are a spread of Pb–O bond distances ranging from 2.14–2.50 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Sr2+, one Zn2+, and two equivalent Pb4+ atoms to form a mixture of distorted corner and edge-sharing OSr2ZnPb2 trigonal bipyramids. In the second O2- site, O2- is bonded to four Sr2+ and one Pb4+ atom to form a mixture of distorted corner and edge-sharing OSr4Pb trigonal bipyramids. In the third O2- site, O2- is bonded in a 5-coordinate geometry to three Sr2+ and two equivalent Pb4+ atoms.},
doi = {10.17188/1655999},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}