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Title: Materials Data on Sn5(S2Cl)2 by Materials Project

Abstract

Sn5(S2Cl)2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are five inequivalent Sn2+ sites. In the first Sn2+ site, Sn2+ is bonded in a distorted trigonal pyramidal geometry to four S2- atoms. There are a spread of Sn–S bond distances ranging from 2.69–3.01 Å. In the second Sn2+ site, Sn2+ is bonded in a distorted rectangular see-saw-like geometry to four S2- atoms. There are a spread of Sn–S bond distances ranging from 2.58–3.21 Å. In the third Sn2+ site, Sn2+ is bonded in a distorted rectangular see-saw-like geometry to four S2- atoms. There are a spread of Sn–S bond distances ranging from 2.58–3.15 Å. In the fourth Sn2+ site, Sn2+ is bonded in a 4-coordinate geometry to two S2- and two Cl1- atoms. There are one shorter (2.67 Å) and one longer (2.88 Å) Sn–S bond lengths. There are one shorter (2.63 Å) and one longer (3.08 Å) Sn–Cl bond lengths. In the fifth Sn2+ site, Sn2+ is bonded in a 4-coordinate geometry to two S2- and two Cl1- atoms. There are one shorter (2.67 Å) and one longer (2.90 Å) Sn–S bond lengths. There are one shorter (2.64 Å) and one longer (3.06 Å) Sn–Clmore » bond lengths. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a 4-coordinate geometry to four Sn2+ atoms. In the second S2- site, S2- is bonded in a 3-coordinate geometry to four Sn2+ atoms. In the third S2- site, S2- is bonded in a 4-coordinate geometry to four Sn2+ atoms. In the fourth S2- site, S2- is bonded in a 2-coordinate geometry to four Sn2+ atoms. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 1-coordinate geometry to two Sn2+ atoms. In the second Cl1- site, Cl1- is bonded in a 1-coordinate geometry to two Sn2+ atoms.« less

Publication Date:
Other Number(s):
mp-1013760
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; Sn5(S2Cl)2; Cl-S-Sn
OSTI Identifier:
1330167
DOI:
10.17188/1330167

Citation Formats

The Materials Project. Materials Data on Sn5(S2Cl)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1330167.
The Materials Project. Materials Data on Sn5(S2Cl)2 by Materials Project. United States. doi:10.17188/1330167.
The Materials Project. 2020. "Materials Data on Sn5(S2Cl)2 by Materials Project". United States. doi:10.17188/1330167. https://www.osti.gov/servlets/purl/1330167. Pub date:Fri May 01 00:00:00 EDT 2020
@article{osti_1330167,
title = {Materials Data on Sn5(S2Cl)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Sn5(S2Cl)2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are five inequivalent Sn2+ sites. In the first Sn2+ site, Sn2+ is bonded in a distorted trigonal pyramidal geometry to four S2- atoms. There are a spread of Sn–S bond distances ranging from 2.69–3.01 Å. In the second Sn2+ site, Sn2+ is bonded in a distorted rectangular see-saw-like geometry to four S2- atoms. There are a spread of Sn–S bond distances ranging from 2.58–3.21 Å. In the third Sn2+ site, Sn2+ is bonded in a distorted rectangular see-saw-like geometry to four S2- atoms. There are a spread of Sn–S bond distances ranging from 2.58–3.15 Å. In the fourth Sn2+ site, Sn2+ is bonded in a 4-coordinate geometry to two S2- and two Cl1- atoms. There are one shorter (2.67 Å) and one longer (2.88 Å) Sn–S bond lengths. There are one shorter (2.63 Å) and one longer (3.08 Å) Sn–Cl bond lengths. In the fifth Sn2+ site, Sn2+ is bonded in a 4-coordinate geometry to two S2- and two Cl1- atoms. There are one shorter (2.67 Å) and one longer (2.90 Å) Sn–S bond lengths. There are one shorter (2.64 Å) and one longer (3.06 Å) Sn–Cl bond lengths. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a 4-coordinate geometry to four Sn2+ atoms. In the second S2- site, S2- is bonded in a 3-coordinate geometry to four Sn2+ atoms. In the third S2- site, S2- is bonded in a 4-coordinate geometry to four Sn2+ atoms. In the fourth S2- site, S2- is bonded in a 2-coordinate geometry to four Sn2+ atoms. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 1-coordinate geometry to two Sn2+ atoms. In the second Cl1- site, Cl1- is bonded in a 1-coordinate geometry to two Sn2+ atoms.},
doi = {10.17188/1330167},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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