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Title: Materials Data on Sr(AlS2)2 by Materials Project

Abstract

SrAl2S4 crystallizes in the orthorhombic Fddd space group. The structure is three-dimensional. there are three inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Sr–S bond distances ranging from 3.13–3.17 Å. In the second Sr2+ site, Sr2+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are four shorter (3.14 Å) and four longer (3.16 Å) Sr–S bond lengths. In the third Sr2+ site, Sr2+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are four shorter (3.14 Å) and four longer (3.16 Å) Sr–S bond lengths. There are two inequivalent Al3+ sites. In the first Al3+ site, Al3+ is bonded to four S2- atoms to form a mixture of edge and corner-sharing AlS4 tetrahedra. There are one shorter (2.25 Å) and three longer (2.28 Å) Al–S bond lengths. In the second Al3+ site, Al3+ is bonded to four S2- atoms to form a mixture of edge and corner-sharing AlS4 tetrahedra. There are one shorter (2.25 Å) and three longer (2.28 Å) Al–S bond lengths. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in amore » 2-coordinate geometry to two Sr2+ and two Al3+ atoms. In the second S2- site, S2- is bonded in a 4-coordinate geometry to two Sr2+ and two equivalent Al3+ atoms. In the third S2- site, S2- is bonded in a 4-coordinate geometry to two Sr2+ and two equivalent Al3+ atoms. In the fourth S2- site, S2- is bonded in a 4-coordinate geometry to two Sr2+ and two Al3+ atoms.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-14424
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; Sr(AlS2)2; Al-S-Sr
OSTI Identifier:
1190669
DOI:
10.17188/1190669

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Sr(AlS2)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1190669.
Persson, Kristin, & Project, Materials. Materials Data on Sr(AlS2)2 by Materials Project. United States. doi:10.17188/1190669.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Sr(AlS2)2 by Materials Project". United States. doi:10.17188/1190669. https://www.osti.gov/servlets/purl/1190669. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1190669,
title = {Materials Data on Sr(AlS2)2 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {SrAl2S4 crystallizes in the orthorhombic Fddd space group. The structure is three-dimensional. there are three inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Sr–S bond distances ranging from 3.13–3.17 Å. In the second Sr2+ site, Sr2+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are four shorter (3.14 Å) and four longer (3.16 Å) Sr–S bond lengths. In the third Sr2+ site, Sr2+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are four shorter (3.14 Å) and four longer (3.16 Å) Sr–S bond lengths. There are two inequivalent Al3+ sites. In the first Al3+ site, Al3+ is bonded to four S2- atoms to form a mixture of edge and corner-sharing AlS4 tetrahedra. There are one shorter (2.25 Å) and three longer (2.28 Å) Al–S bond lengths. In the second Al3+ site, Al3+ is bonded to four S2- atoms to form a mixture of edge and corner-sharing AlS4 tetrahedra. There are one shorter (2.25 Å) and three longer (2.28 Å) Al–S bond lengths. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a 2-coordinate geometry to two Sr2+ and two Al3+ atoms. In the second S2- site, S2- is bonded in a 4-coordinate geometry to two Sr2+ and two equivalent Al3+ atoms. In the third S2- site, S2- is bonded in a 4-coordinate geometry to two Sr2+ and two equivalent Al3+ atoms. In the fourth S2- site, S2- is bonded in a 4-coordinate geometry to two Sr2+ and two Al3+ atoms.},
doi = {10.17188/1190669},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

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