Materials Data on H3CSClO by Materials Project

doi:10.17188/1280405

Title: Materials Data on H3CSClO by Materials Project

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Abstract

CH3SOCl crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four methane molecules and four SOCl clusters. In each SOCl cluster, S2- is bonded in a 1-coordinate geometry to one O2- and one Cl1- atom. The S–O bond length is 1.48 Å. The S–Cl bond length is 2.17 Å. 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:: 2020-07-23

Other Number(s):: mp-644221

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; H3CSClO; C-Cl-H-O-S

OSTI Identifier:: 1280405

DOI:: https://doi.org/10.17188/1280405

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                    The Materials Project. Materials Data on H3CSClO by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1280405.

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                    The Materials Project. Materials Data on H3CSClO by Materials Project.  United States.  doi:https://doi.org/10.17188/1280405

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                    The Materials Project. 2020.  
"Materials Data on H3CSClO by Materials Project".  United States.  doi:https://doi.org/10.17188/1280405.  https://www.osti.gov/servlets/purl/1280405. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1280405,

  title        = {Materials Data on H3CSClO by Materials Project},

  author       = {The Materials Project},

  abstractNote = {CH3SOCl crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four methane molecules and four SOCl clusters. In each SOCl cluster, S2- is bonded in a 1-coordinate geometry to one O2- and one Cl1- atom. The S–O bond length is 1.48 Å. The S–Cl bond length is 2.17 Å. 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          = {10.17188/1280405},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1280405

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