Materials Data on PS2N(Cl3O2)2 by Materials Project

doi:10.17188/1271110

Title: Materials Data on PS2N(Cl3O2)2 by Materials Project

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Abstract

N2(PCl4)2(SO2Cl)4 crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four [pcl4]+1 molecules, four ammonia molecules, and eight SO2Cl clusters. In each SO2Cl cluster, S2+ is bonded in a 2-coordinate geometry to two O2- and one Cl1- atom. There is one shorter (1.44 Å) and one longer (1.45 Å) S–O bond length. The S–Cl bond length is 2.10 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:: Fri May 01 00:00:00 EDT 2020

Other Number(s):: mp-559879

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; PS2N(Cl3O2)2; Cl-N-O-P-S

OSTI Identifier:: 1271110

DOI:: https://doi.org/10.17188/1271110

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                    The Materials Project. Materials Data on PS2N(Cl3O2)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1271110.

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                    The Materials Project. Materials Data on PS2N(Cl3O2)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1271110

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                    The Materials Project. 2020.  
"Materials Data on PS2N(Cl3O2)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1271110.  https://www.osti.gov/servlets/purl/1271110. Pub date:Fri May 01 00:00:00 EDT 2020

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@article{osti_1271110,

  title        = {Materials Data on PS2N(Cl3O2)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {N2(PCl4)2(SO2Cl)4 crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four [pcl4]+1 molecules, four ammonia molecules, and eight SO2Cl clusters. In each SO2Cl cluster, S2+ is bonded in a 2-coordinate geometry to two O2- and one Cl1- atom. There is one shorter (1.44 Å) and one longer (1.45 Å) S–O bond length. The S–Cl bond length is 2.10 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          = {10.17188/1271110},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Fri May 01 00:00:00 EDT 2020},

  month        = {Fri May 01 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1271110

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