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Title: Materials Data on Sr(AsS2)2 by Materials Project

Abstract

Sr(AsS2)2 crystallizes in the triclinic P1 space group. The structure is three-dimensional. Sr2+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of Sr–S bond distances ranging from 3.02–3.33 Å. There are two inequivalent As3+ sites. In the first As3+ site, As3+ is bonded in a see-saw-like geometry to four S2- atoms. There are a spread of As–S bond distances ranging from 2.20–2.92 Å. In the second As3+ site, As3+ is bonded in a trigonal non-coplanar geometry to three S2- atoms. There are a spread of As–S bond distances ranging from 2.26–2.33 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a 4-coordinate geometry to two equivalent Sr2+ and two As3+ atoms. In the second S2- site, S2- is bonded in a 2-coordinate geometry to two equivalent Sr2+ and one As3+ atom. In the third S2- site, S2- is bonded to two equivalent Sr2+ and two As3+ atoms to form distorted corner-sharing SSr2As2 trigonal pyramids. In the fourth S2- site, S2- is bonded in a 3-coordinate geometry to one Sr2+ and two As3+ atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-36577
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(AsS2)2; As-S-Sr
OSTI Identifier:
1207198
DOI:
10.17188/1207198

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Sr(AsS2)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1207198.
Persson, Kristin, & Project, Materials. Materials Data on Sr(AsS2)2 by Materials Project. United States. doi:10.17188/1207198.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Sr(AsS2)2 by Materials Project". United States. doi:10.17188/1207198. https://www.osti.gov/servlets/purl/1207198. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1207198,
title = {Materials Data on Sr(AsS2)2 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Sr(AsS2)2 crystallizes in the triclinic P1 space group. The structure is three-dimensional. Sr2+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of Sr–S bond distances ranging from 3.02–3.33 Å. There are two inequivalent As3+ sites. In the first As3+ site, As3+ is bonded in a see-saw-like geometry to four S2- atoms. There are a spread of As–S bond distances ranging from 2.20–2.92 Å. In the second As3+ site, As3+ is bonded in a trigonal non-coplanar geometry to three S2- atoms. There are a spread of As–S bond distances ranging from 2.26–2.33 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a 4-coordinate geometry to two equivalent Sr2+ and two As3+ atoms. In the second S2- site, S2- is bonded in a 2-coordinate geometry to two equivalent Sr2+ and one As3+ atom. In the third S2- site, S2- is bonded to two equivalent Sr2+ and two As3+ atoms to form distorted corner-sharing SSr2As2 trigonal pyramids. In the fourth S2- site, S2- is bonded in a 3-coordinate geometry to one Sr2+ and two As3+ atoms.},
doi = {10.17188/1207198},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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