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Title: Materials Data on Sr2SO by Materials Project

Abstract

Sr2SO is Caswellsilverite-like structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded to two equivalent S2- and four equivalent O2- atoms to form a mixture of edge and corner-sharing SrS2O4 octahedra. The corner-sharing octahedral tilt angles are 0°. Both Sr–S bond lengths are 2.86 Å. All Sr–O bond lengths are 2.86 Å. In the second 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 SrS2O4 octahedra. The corner-sharing octahedral tilt angles are 0°. All Sr–S bond lengths are 2.86 Å. Both Sr–O bond lengths are 2.86 Å. S2- is bonded to six Sr2+ atoms to form SSr6 octahedra that share corners with six equivalent SSr6 octahedra, edges with four equivalent SSr6 octahedra, and edges with eight equivalent OSr6 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, edges with four equivalent OSr6 octahedra, and edges with eight equivalent SSr6 octahedra. The corner-sharing octahedralmore » tilt angles are 0°.« less

Publication Date:
Other Number(s):
mp-1018030
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; Sr2SO; O-S-Sr
OSTI Identifier:
1350100
DOI:
https://doi.org/10.17188/1350100

Citation Formats

The Materials Project. Materials Data on Sr2SO by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1350100.
The Materials Project. Materials Data on Sr2SO by Materials Project. United States. doi:https://doi.org/10.17188/1350100
The Materials Project. 2020. "Materials Data on Sr2SO by Materials Project". United States. doi:https://doi.org/10.17188/1350100. https://www.osti.gov/servlets/purl/1350100. Pub date:Fri Jul 24 00:00:00 EDT 2020
@article{osti_1350100,
title = {Materials Data on Sr2SO by Materials Project},
author = {The Materials Project},
abstractNote = {Sr2SO is Caswellsilverite-like structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded to two equivalent S2- and four equivalent O2- atoms to form a mixture of edge and corner-sharing SrS2O4 octahedra. The corner-sharing octahedral tilt angles are 0°. Both Sr–S bond lengths are 2.86 Å. All Sr–O bond lengths are 2.86 Å. In the second 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 SrS2O4 octahedra. The corner-sharing octahedral tilt angles are 0°. All Sr–S bond lengths are 2.86 Å. Both Sr–O bond lengths are 2.86 Å. S2- is bonded to six Sr2+ atoms to form SSr6 octahedra that share corners with six equivalent SSr6 octahedra, edges with four equivalent SSr6 octahedra, and edges with eight equivalent OSr6 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, edges with four equivalent OSr6 octahedra, and edges with eight equivalent SSr6 octahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1350100},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}