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Title: Materials Data on SbH3CS2N by Materials Project

Abstract

CNH2SbHS2 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of four methylamine molecules and one SbHS2 ribbon oriented in the (1, 0, 1) direction. In the SbHS2 ribbon, there are two inequivalent Sb3+ sites. In the first Sb3+ site, Sb3+ is bonded in a distorted rectangular see-saw-like geometry to four S2- atoms. There are a spread of Sb–S bond distances ranging from 2.44–3.19 Å. In the second Sb3+ site, Sb3+ is bonded in a distorted rectangular see-saw-like geometry to four S2- atoms. There are a spread of Sb–S bond distances ranging from 2.45–3.11 Å. There are two inequivalent H+0.33+ sites. In the first H+0.33+ site, H+0.33+ is bonded in a single-bond geometry to one S2- atom. The H–S bond length is 1.35 Å. In the second H+0.33+ site, H+0.33+ is bonded in a single-bond geometry to one S2- atom. The H–S bond length is 1.35 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted single-bond geometry to two equivalent Sb3+ and one H+0.33+ atom. In the second S2- site, S2- is bonded in an L-shaped geometry to two Sb3+ atoms. In the third S2- site, S2-more » is bonded in an L-shaped geometry to two Sb3+ atoms. In the fourth S2- site, S2- is bonded in a distorted single-bond geometry to two equivalent Sb3+ and one H+0.33+ atom.« less

Authors:
Publication Date:
Other Number(s):
mp-698424
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; SbH3CS2N; C-H-N-S-Sb
OSTI Identifier:
1285349
DOI:
https://doi.org/10.17188/1285349

Citation Formats

The Materials Project. Materials Data on SbH3CS2N by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1285349.
The Materials Project. Materials Data on SbH3CS2N by Materials Project. United States. doi:https://doi.org/10.17188/1285349
The Materials Project. 2020. "Materials Data on SbH3CS2N by Materials Project". United States. doi:https://doi.org/10.17188/1285349. https://www.osti.gov/servlets/purl/1285349. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1285349,
title = {Materials Data on SbH3CS2N by Materials Project},
author = {The Materials Project},
abstractNote = {CNH2SbHS2 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of four methylamine molecules and one SbHS2 ribbon oriented in the (1, 0, 1) direction. In the SbHS2 ribbon, there are two inequivalent Sb3+ sites. In the first Sb3+ site, Sb3+ is bonded in a distorted rectangular see-saw-like geometry to four S2- atoms. There are a spread of Sb–S bond distances ranging from 2.44–3.19 Å. In the second Sb3+ site, Sb3+ is bonded in a distorted rectangular see-saw-like geometry to four S2- atoms. There are a spread of Sb–S bond distances ranging from 2.45–3.11 Å. There are two inequivalent H+0.33+ sites. In the first H+0.33+ site, H+0.33+ is bonded in a single-bond geometry to one S2- atom. The H–S bond length is 1.35 Å. In the second H+0.33+ site, H+0.33+ is bonded in a single-bond geometry to one S2- atom. The H–S bond length is 1.35 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted single-bond geometry to two equivalent Sb3+ and one H+0.33+ atom. In the second S2- site, S2- is bonded in an L-shaped geometry to two Sb3+ atoms. In the third S2- site, S2- is bonded in an L-shaped geometry to two Sb3+ atoms. In the fourth S2- site, S2- is bonded in a distorted single-bond geometry to two equivalent Sb3+ and one H+0.33+ atom.},
doi = {10.17188/1285349},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}