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Title: Materials Data on Sr(BS2)2 by Materials Project

Abstract

Sr(BS2)2 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 6-coordinate geometry to nine S2- atoms. There are a spread of Sr–S bond distances ranging from 3.16–3.62 Å. In the second Sr2+ site, Sr2+ is bonded in an octahedral geometry to six equivalent S2- atoms. All Sr–S bond lengths are 3.07 Å. B3+ is bonded in a trigonal planar geometry to three S2- atoms. There is one shorter (1.80 Å) and two longer (1.82 Å) B–S bond length. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 1-coordinate geometry to three Sr2+ and one B3+ atom. In the second S2- site, S2- is bonded in a bent 120 degrees geometry to one Sr2+ and two equivalent B3+ atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-11012
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(BS2)2; B-S-Sr
OSTI Identifier:
1187520
DOI:
10.17188/1187520

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Sr(BS2)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1187520.
Persson, Kristin, & Project, Materials. Materials Data on Sr(BS2)2 by Materials Project. United States. doi:10.17188/1187520.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Sr(BS2)2 by Materials Project". United States. doi:10.17188/1187520. https://www.osti.gov/servlets/purl/1187520. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1187520,
title = {Materials Data on Sr(BS2)2 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Sr(BS2)2 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 6-coordinate geometry to nine S2- atoms. There are a spread of Sr–S bond distances ranging from 3.16–3.62 Å. In the second Sr2+ site, Sr2+ is bonded in an octahedral geometry to six equivalent S2- atoms. All Sr–S bond lengths are 3.07 Å. B3+ is bonded in a trigonal planar geometry to three S2- atoms. There is one shorter (1.80 Å) and two longer (1.82 Å) B–S bond length. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 1-coordinate geometry to three Sr2+ and one B3+ atom. In the second S2- site, S2- is bonded in a bent 120 degrees geometry to one Sr2+ and two equivalent B3+ atoms.},
doi = {10.17188/1187520},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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