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Title: Materials Data on AsH9C2S(NO)4 by Materials Project

Abstract

C2N4H7SH2AsO4 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of two ac1mvgyg molecules and one H2AsO4 ribbon oriented in the (1, 0, 0) direction. In the H2AsO4 ribbon, As5+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of As–O bond distances ranging from 1.70–1.77 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.03 Å) and one longer (1.55 Å) H–O bond length. In the second H1+ site, H1+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.03 Å) and one longer (1.57 Å) H–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one As5+ and one H1+ atom. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to one As5+ and one H1+ atom. In the third O2- site, O2- is bonded in a water-like geometry to one As5+ and one H1+ atom. In the fourth O2- site, O2- is bonded in a bentmore » 120 degrees geometry to one As5+ and one H1+ atom.« less

Publication Date:
Other Number(s):
mp-1200478
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; AsH9C2S(NO)4; As-C-H-N-O-S
OSTI Identifier:
1672218
DOI:
https://doi.org/10.17188/1672218

Citation Formats

The Materials Project. Materials Data on AsH9C2S(NO)4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1672218.
The Materials Project. Materials Data on AsH9C2S(NO)4 by Materials Project. United States. doi:https://doi.org/10.17188/1672218
The Materials Project. 2020. "Materials Data on AsH9C2S(NO)4 by Materials Project". United States. doi:https://doi.org/10.17188/1672218. https://www.osti.gov/servlets/purl/1672218. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1672218,
title = {Materials Data on AsH9C2S(NO)4 by Materials Project},
author = {The Materials Project},
abstractNote = {C2N4H7SH2AsO4 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of two ac1mvgyg molecules and one H2AsO4 ribbon oriented in the (1, 0, 0) direction. In the H2AsO4 ribbon, As5+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of As–O bond distances ranging from 1.70–1.77 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.03 Å) and one longer (1.55 Å) H–O bond length. In the second H1+ site, H1+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.03 Å) and one longer (1.57 Å) H–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one As5+ and one H1+ atom. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to one As5+ and one H1+ atom. In the third O2- site, O2- is bonded in a water-like geometry to one As5+ and one H1+ atom. In the fourth O2- site, O2- is bonded in a bent 120 degrees geometry to one As5+ and one H1+ atom.},
doi = {10.17188/1672218},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}