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Title: Materials Data on SnHg2(SBr)2 by Materials Project

Abstract

Hg2Sn(SBr)2 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of one Hg2Sn(SBr)2 sheet oriented in the (1, 0, 2) direction. there are two inequivalent Hg2+ sites. In the first Hg2+ site, Hg2+ is bonded in a distorted linear geometry to two S2- atoms. There are one shorter (2.36 Å) and one longer (2.38 Å) Hg–S bond lengths. In the second Hg2+ site, Hg2+ is bonded in a distorted linear geometry to two S2- atoms. There are one shorter (2.36 Å) and one longer (2.38 Å) Hg–S bond lengths. Sn2+ is bonded in a distorted rectangular see-saw-like geometry to one S2- and three Br1- atoms. The Sn–S bond length is 2.91 Å. There are a spread of Sn–Br bond distances ranging from 2.67–3.11 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted water-like geometry to two Hg2+ atoms. In the second S2- site, S2- is bonded in a 3-coordinate geometry to two Hg2+ and one Sn2+ atom. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a single-bond geometry to one Sn2+ atom. In the second Br1- site, Br1- is bondedmore » in a distorted L-shaped geometry to two equivalent Sn2+ atoms.« less

Authors:
Publication Date:
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)
Contributing Org.:
MIT; UC Berkeley; Duke; U Louvain
OSTI Identifier:
1278119
Report Number(s):
mp-622273
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Resource Type:
Data
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; crystal structure; SnHg2(SBr)2; Br-Hg-S-Sn

Citation Formats

The Materials Project. Materials Data on SnHg2(SBr)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1278119.
The Materials Project. Materials Data on SnHg2(SBr)2 by Materials Project. United States. https://doi.org/10.17188/1278119
The Materials Project. 2020. "Materials Data on SnHg2(SBr)2 by Materials Project". United States. https://doi.org/10.17188/1278119. https://www.osti.gov/servlets/purl/1278119.
@article{osti_1278119,
title = {Materials Data on SnHg2(SBr)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Hg2Sn(SBr)2 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of one Hg2Sn(SBr)2 sheet oriented in the (1, 0, 2) direction. there are two inequivalent Hg2+ sites. In the first Hg2+ site, Hg2+ is bonded in a distorted linear geometry to two S2- atoms. There are one shorter (2.36 Å) and one longer (2.38 Å) Hg–S bond lengths. In the second Hg2+ site, Hg2+ is bonded in a distorted linear geometry to two S2- atoms. There are one shorter (2.36 Å) and one longer (2.38 Å) Hg–S bond lengths. Sn2+ is bonded in a distorted rectangular see-saw-like geometry to one S2- and three Br1- atoms. The Sn–S bond length is 2.91 Å. There are a spread of Sn–Br bond distances ranging from 2.67–3.11 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted water-like geometry to two Hg2+ atoms. In the second S2- site, S2- is bonded in a 3-coordinate geometry to two Hg2+ and one Sn2+ atom. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a single-bond geometry to one Sn2+ atom. In the second Br1- site, Br1- is bonded in a distorted L-shaped geometry to two equivalent Sn2+ atoms.},
doi = {10.17188/1278119},
url = {https://www.osti.gov/biblio/1278119}, journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Jul 15 00:00:00 EDT 2020},
month = {Wed Jul 15 00:00:00 EDT 2020}
}