Materials Data on HS2N(ClO2)2 by Materials Project

doi:10.17188/1691029

Title: Materials Data on HS2N(ClO2)2 by Materials Project

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Abstract

NH(SO2Cl)2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four ammonia molecules and eight SO2Cl clusters. In each SO2Cl cluster, S2+ is bonded in a distorted trigonal non-coplanar geometry to two O2- and one Cl1- atom. Both S–O bond lengths are 1.43 Å. The S–Cl bond length is 2.04 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one S2+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one S2+ atom. Cl1- is bonded in a single-bond geometry to one S2+ atom.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1201798

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; HS2N(ClO2)2; Cl-H-N-O-S

OSTI Identifier:: 1691029

DOI:: https://doi.org/10.17188/1691029

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                    The Materials Project. Materials Data on HS2N(ClO2)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1691029.

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                    The Materials Project. Materials Data on HS2N(ClO2)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1691029

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                    The Materials Project. 2020.  
"Materials Data on HS2N(ClO2)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1691029.  https://www.osti.gov/servlets/purl/1691029. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1691029,

  title        = {Materials Data on HS2N(ClO2)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {NH(SO2Cl)2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four ammonia molecules and eight SO2Cl clusters. In each SO2Cl cluster, S2+ is bonded in a distorted trigonal non-coplanar geometry to two O2- and one Cl1- atom. Both S–O bond lengths are 1.43 Å. The S–Cl bond length is 2.04 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one S2+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one S2+ atom. Cl1- is bonded in a single-bond geometry to one S2+ atom.},

  doi          = {10.17188/1691029},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1691029

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