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Title: Materials Data on Sr10P6SO24 by Materials Project

Abstract

Sr10P6SO24 crystallizes in the trigonal P-3 space group. The structure is three-dimensional. there are three inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 7-coordinate geometry to one S2- and six O2- atoms. The Sr–S bond length is 3.05 Å. There are a spread of Sr–O bond distances ranging from 2.51–2.82 Å. In the second 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 2.63–2.77 Å. In the third Sr2+ site, Sr2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are three shorter (2.52 Å) and three longer (2.54 Å) Sr–O bond lengths. P5+ is bonded in a tetrahedral geometry to four O2- atoms. All P–O bond lengths are 1.56 Å. S2- is bonded in a distorted octahedral geometry to six equivalent Sr2+ atoms. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to three Sr2+ and one P5+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to three Sr2+ and one P5+ atom. In the third O2- site, O2- is bonded in a distortedmore » single-bond geometry to two equivalent Sr2+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to three Sr2+ and one P5+ atom.« less

Authors:
Publication Date:
Other Number(s):
mp-17447
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Sr10P6SO24; O-P-S-Sr
OSTI Identifier:
1192510
DOI:
https://doi.org/10.17188/1192510

Citation Formats

The Materials Project. Materials Data on Sr10P6SO24 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1192510.
The Materials Project. Materials Data on Sr10P6SO24 by Materials Project. United States. doi:https://doi.org/10.17188/1192510
The Materials Project. 2020. "Materials Data on Sr10P6SO24 by Materials Project". United States. doi:https://doi.org/10.17188/1192510. https://www.osti.gov/servlets/purl/1192510. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1192510,
title = {Materials Data on Sr10P6SO24 by Materials Project},
author = {The Materials Project},
abstractNote = {Sr10P6SO24 crystallizes in the trigonal P-3 space group. The structure is three-dimensional. there are three inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 7-coordinate geometry to one S2- and six O2- atoms. The Sr–S bond length is 3.05 Å. There are a spread of Sr–O bond distances ranging from 2.51–2.82 Å. In the second 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 2.63–2.77 Å. In the third Sr2+ site, Sr2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are three shorter (2.52 Å) and three longer (2.54 Å) Sr–O bond lengths. P5+ is bonded in a tetrahedral geometry to four O2- atoms. All P–O bond lengths are 1.56 Å. S2- is bonded in a distorted octahedral geometry to six equivalent Sr2+ atoms. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to three Sr2+ and one P5+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to three Sr2+ and one P5+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Sr2+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to three Sr2+ and one P5+ atom.},
doi = {10.17188/1192510},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}