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Title: Materials Data on As4H24C8S7N2 by Materials Project

Abstract

(N(CH3)4)2As4S7 crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of eight tetramethylammonium molecules and two As4S7 ribbons oriented in the (0, 0, 1) direction. In each As4S7 ribbon, there are four inequivalent As3- sites. In the first As3- site, As3- is bonded in a distorted T-shaped geometry to three S2- atoms. There are a spread of As–S bond distances ranging from 2.27–2.33 Å. In the second As3- site, As3- is bonded in a distorted trigonal non-coplanar geometry to three S2- atoms. There are one shorter (2.19 Å) and two longer (2.35 Å) As–S bond lengths. In the third 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 2.16–2.37 Å. In the fourth As3- site, As3- is bonded in a distorted T-shaped geometry to three S2- atoms. There are two shorter (2.29 Å) and one longer (2.31 Å) As–S bond lengths. There are seven inequivalent S2- sites. In the first S2- site, S2- is bonded in a water-like geometry to two As3- atoms. In the second S2- site, S2- is bonded in an L-shaped geometry to two As3- atoms. In themore » third S2- site, S2- is bonded in a single-bond geometry to one As3- atom. In the fourth S2- site, S2- is bonded in a water-like geometry to two As3- atoms. In the fifth S2- site, S2- is bonded in an L-shaped geometry to two As3- atoms. In the sixth S2- site, S2- is bonded in a single-bond geometry to one As3- atom. In the seventh S2- site, S2- is bonded in an L-shaped geometry to two As3- atoms.« less

Publication Date:
Other Number(s):
mp-782100
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; As4H24C8S7N2; As-C-H-N-S
OSTI Identifier:
1307626
DOI:
https://doi.org/10.17188/1307626

Citation Formats

The Materials Project. Materials Data on As4H24C8S7N2 by Materials Project. United States: N. p., 2014. Web. doi:10.17188/1307626.
The Materials Project. Materials Data on As4H24C8S7N2 by Materials Project. United States. doi:https://doi.org/10.17188/1307626
The Materials Project. 2014. "Materials Data on As4H24C8S7N2 by Materials Project". United States. doi:https://doi.org/10.17188/1307626. https://www.osti.gov/servlets/purl/1307626. Pub date:Thu Feb 27 00:00:00 EST 2014
@article{osti_1307626,
title = {Materials Data on As4H24C8S7N2 by Materials Project},
author = {The Materials Project},
abstractNote = {(N(CH3)4)2As4S7 crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of eight tetramethylammonium molecules and two As4S7 ribbons oriented in the (0, 0, 1) direction. In each As4S7 ribbon, there are four inequivalent As3- sites. In the first As3- site, As3- is bonded in a distorted T-shaped geometry to three S2- atoms. There are a spread of As–S bond distances ranging from 2.27–2.33 Å. In the second As3- site, As3- is bonded in a distorted trigonal non-coplanar geometry to three S2- atoms. There are one shorter (2.19 Å) and two longer (2.35 Å) As–S bond lengths. In the third 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 2.16–2.37 Å. In the fourth As3- site, As3- is bonded in a distorted T-shaped geometry to three S2- atoms. There are two shorter (2.29 Å) and one longer (2.31 Å) As–S bond lengths. There are seven inequivalent S2- sites. In the first S2- site, S2- is bonded in a water-like geometry to two As3- atoms. In the second S2- site, S2- is bonded in an L-shaped geometry to two As3- atoms. In the third S2- site, S2- is bonded in a single-bond geometry to one As3- atom. In the fourth S2- site, S2- is bonded in a water-like geometry to two As3- atoms. In the fifth S2- site, S2- is bonded in an L-shaped geometry to two As3- atoms. In the sixth S2- site, S2- is bonded in a single-bond geometry to one As3- atom. In the seventh S2- site, S2- is bonded in an L-shaped geometry to two As3- atoms.},
doi = {10.17188/1307626},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2014},
month = {2}
}