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Title: Materials Data on Sr4S3O by Materials Project

Abstract

Sr4S3O is Caswellsilverite-like structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. there are four inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded to four equivalent S2- and two equivalent O2- atoms to form SrS4O2 octahedra that share corners with six equivalent SrS4O2 octahedra and edges with twelve SrS6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Sr–S bond lengths are 2.95 Å. Both Sr–O bond lengths are 2.95 Å. In the second Sr2+ site, Sr2+ is bonded to six equivalent S2- atoms to form SrS6 octahedra that share corners with six equivalent SrS6 octahedra and edges with twelve SrS4O2 octahedra. The corner-sharing octahedral tilt angles are 0°. All Sr–S bond lengths are 2.95 Å. In the third Sr2+ site, Sr2+ is bonded to four equivalent S2- and two equivalent O2- atoms to form a mixture of edge and corner-sharing SrS4O2 octahedra. The corner-sharing octahedral tilt angles are 0°. All Sr–S bond lengths are 2.95 Å. Both Sr–O bond lengths are 2.95 Å. In the fourth Sr2+ site, Sr2+ is bonded to four equivalent S2- and two equivalent O2- atoms to form a mixture of edge and corner-sharing SrS4O2 octahedra. The corner-sharingmore » octahedral tilt angles are 0°. All Sr–S bond lengths are 2.95 Å. Both Sr–O bond lengths are 2.95 Å. S2- is bonded to six Sr2+ atoms to form SSr6 octahedra that share corners with six equivalent SSr6 octahedra, edges with four equivalent OSr6 octahedra, and edges with eight equivalent SSr6 octahedra. The corner-sharing octahedral tilt angles are 0°. O2- is bonded to six Sr2+ atoms to form OSr6 octahedra that share corners with six equivalent OSr6 octahedra and edges with twelve equivalent SSr6 octahedra. The corner-sharing octahedral tilt angles are 0°.« less

Publication Date:
Other Number(s):
mp-1020578
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; Sr4S3O; O-S-Sr
OSTI Identifier:
1351424
DOI:
10.17188/1351424

Citation Formats

The Materials Project. Materials Data on Sr4S3O by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1351424.
The Materials Project. Materials Data on Sr4S3O by Materials Project. United States. doi:10.17188/1351424.
The Materials Project. 2020. "Materials Data on Sr4S3O by Materials Project". United States. doi:10.17188/1351424. https://www.osti.gov/servlets/purl/1351424. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1351424,
title = {Materials Data on Sr4S3O by Materials Project},
author = {The Materials Project},
abstractNote = {Sr4S3O is Caswellsilverite-like structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. there are four inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded to four equivalent S2- and two equivalent O2- atoms to form SrS4O2 octahedra that share corners with six equivalent SrS4O2 octahedra and edges with twelve SrS6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Sr–S bond lengths are 2.95 Å. Both Sr–O bond lengths are 2.95 Å. In the second Sr2+ site, Sr2+ is bonded to six equivalent S2- atoms to form SrS6 octahedra that share corners with six equivalent SrS6 octahedra and edges with twelve SrS4O2 octahedra. The corner-sharing octahedral tilt angles are 0°. All Sr–S bond lengths are 2.95 Å. In the third Sr2+ site, Sr2+ is bonded to four equivalent S2- and two equivalent O2- atoms to form a mixture of edge and corner-sharing SrS4O2 octahedra. The corner-sharing octahedral tilt angles are 0°. All Sr–S bond lengths are 2.95 Å. Both Sr–O bond lengths are 2.95 Å. In the fourth Sr2+ site, Sr2+ is bonded to four equivalent S2- and two equivalent O2- atoms to form a mixture of edge and corner-sharing SrS4O2 octahedra. The corner-sharing octahedral tilt angles are 0°. All Sr–S bond lengths are 2.95 Å. Both Sr–O bond lengths are 2.95 Å. S2- is bonded to six Sr2+ atoms to form SSr6 octahedra that share corners with six equivalent SSr6 octahedra, edges with four equivalent OSr6 octahedra, and edges with eight equivalent SSr6 octahedra. The corner-sharing octahedral tilt angles are 0°. O2- is bonded to six Sr2+ atoms to form OSr6 octahedra that share corners with six equivalent OSr6 octahedra and edges with twelve equivalent SSr6 octahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1351424},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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