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Title: Materials Data on TeS7Cl2 by Materials Project

Abstract

TeS7Cl2 crystallizes in the orthorhombic Pnma space group. The structure is one-dimensional and consists of two TeS7Cl2 ribbons oriented in the (1, 0, 0) direction. Te4+ is bonded in a rectangular see-saw-like geometry to two equivalent S+0.29- and two Cl1- atoms. Both Te–S bond lengths are 2.61 Å. There are one shorter (2.45 Å) and one longer (2.55 Å) Te–Cl bond lengths. There are four inequivalent S+0.29- sites. In the first S+0.29- site, S+0.29- is bonded in a 4-coordinate geometry to three S+0.29- and one Cl1- atom. There are two shorter (2.08 Å) and one longer (3.24 Å) S–S bond lengths. The S–Cl bond length is 3.90 Å. In the second S+0.29- site, S+0.29- is bonded in a 2-coordinate geometry to one Te4+, one S+0.29-, and one Cl1- atom. The S–S bond length is 1.95 Å. The S–Cl bond length is 3.23 Å. In the third S+0.29- site, S+0.29- is bonded in a 3-coordinate geometry to two equivalent S+0.29- atoms. In the fourth S+0.29- site, S+0.29- is bonded in a 4-coordinate geometry to three S+0.29- and one Cl1- atom. The S–S bond length is 2.29 Å. The S–Cl bond length is 3.46 Å. There are two inequivalent Cl1- sites. Inmore » the first Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Te4+ and four S+0.29- atoms. In the second Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Te4+ and two equivalent S+0.29- atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-1179246
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; TeS7Cl2; Cl-S-Te
OSTI Identifier:
1745023
DOI:
https://doi.org/10.17188/1745023

Citation Formats

The Materials Project. Materials Data on TeS7Cl2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1745023.
The Materials Project. Materials Data on TeS7Cl2 by Materials Project. United States. doi:https://doi.org/10.17188/1745023
The Materials Project. 2020. "Materials Data on TeS7Cl2 by Materials Project". United States. doi:https://doi.org/10.17188/1745023. https://www.osti.gov/servlets/purl/1745023. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1745023,
title = {Materials Data on TeS7Cl2 by Materials Project},
author = {The Materials Project},
abstractNote = {TeS7Cl2 crystallizes in the orthorhombic Pnma space group. The structure is one-dimensional and consists of two TeS7Cl2 ribbons oriented in the (1, 0, 0) direction. Te4+ is bonded in a rectangular see-saw-like geometry to two equivalent S+0.29- and two Cl1- atoms. Both Te–S bond lengths are 2.61 Å. There are one shorter (2.45 Å) and one longer (2.55 Å) Te–Cl bond lengths. There are four inequivalent S+0.29- sites. In the first S+0.29- site, S+0.29- is bonded in a 4-coordinate geometry to three S+0.29- and one Cl1- atom. There are two shorter (2.08 Å) and one longer (3.24 Å) S–S bond lengths. The S–Cl bond length is 3.90 Å. In the second S+0.29- site, S+0.29- is bonded in a 2-coordinate geometry to one Te4+, one S+0.29-, and one Cl1- atom. The S–S bond length is 1.95 Å. The S–Cl bond length is 3.23 Å. In the third S+0.29- site, S+0.29- is bonded in a 3-coordinate geometry to two equivalent S+0.29- atoms. In the fourth S+0.29- site, S+0.29- is bonded in a 4-coordinate geometry to three S+0.29- and one Cl1- atom. The S–S bond length is 2.29 Å. The S–Cl bond length is 3.46 Å. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Te4+ and four S+0.29- atoms. In the second Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Te4+ and two equivalent S+0.29- atoms.},
doi = {10.17188/1745023},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}