Materials Data on AsH2C2NCl2O by Materials Project

doi:10.17188/1284582

Title: Materials Data on AsH2C2NCl2O by Materials Project

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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:: The Materials Project

Publication Date:: 2020-04-30

Other Number(s):: mp-690847

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; AsH2C2NCl2O; As-C-Cl-H-N-O

OSTI Identifier:: 1284582

DOI:: https://doi.org/10.17188/1284582

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                    The Materials Project. Materials Data on AsH2C2NCl2O by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1284582.

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                    The Materials Project. Materials Data on AsH2C2NCl2O by Materials Project.  United States.  doi:https://doi.org/10.17188/1284582

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                    The Materials Project. 2020.  
"Materials Data on AsH2C2NCl2O by Materials Project".  United States.  doi:https://doi.org/10.17188/1284582.  https://www.osti.gov/servlets/purl/1284582. Pub date:Thu Apr 30 00:00:00 EDT 2020

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@article{osti_1284582,

  title        = {Materials Data on AsH2C2NCl2O by Materials Project},

  author       = {The Materials Project},

  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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DOI: https://doi.org/10.17188/1284582

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