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Title: Materials Data on AsH2C2NCl2O by Materials Project

Abstract

(C2NH2)2(AsOCl)2Cl2 crystallizes in the orthorhombic Cmce space group. The structure is one-dimensional and consists of eight ch3nc molecules; eight hydrochloric acid molecules; and four AsOCl ribbons oriented in the (1, 0, 0) direction. In each AsOCl ribbon, As3- is bonded in a 2-coordinate geometry to two equivalent O2- and one Cl1- atom. Both As–O bond lengths are 1.84 Å. The As–Cl bond length is 2.32 Å. O2- is bonded in a bent 120 degrees geometry to two equivalent As3- atoms. Cl1- is bonded in a single-bond geometry to one As3- atom.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-690847
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; AsH2C2NCl2O; As-C-Cl-H-N-O
OSTI Identifier:
1284582
DOI:
10.17188/1284582

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on AsH2C2NCl2O by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1284582.
Persson, Kristin, & Project, Materials. Materials Data on AsH2C2NCl2O by Materials Project. United States. doi:10.17188/1284582.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on AsH2C2NCl2O by Materials Project". United States. doi:10.17188/1284582. https://www.osti.gov/servlets/purl/1284582. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1284582,
title = {Materials Data on AsH2C2NCl2O by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {(C2NH2)2(AsOCl)2Cl2 crystallizes in the orthorhombic Cmce space group. The structure is one-dimensional and consists of eight ch3nc molecules; eight hydrochloric acid molecules; and four AsOCl ribbons oriented in the (1, 0, 0) direction. In each AsOCl ribbon, As3- is bonded in a 2-coordinate geometry to two equivalent O2- and one Cl1- atom. Both As–O bond lengths are 1.84 Å. The As–Cl bond length is 2.32 Å. O2- is bonded in a bent 120 degrees geometry to two equivalent As3- atoms. Cl1- is bonded in a single-bond geometry to one As3- atom.},
doi = {10.17188/1284582},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

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