Materials Data on SnCS(NCl)2 by Materials Project

doi:10.17188/1731834

Title: Materials Data on SnCS(NCl)2 by Materials Project

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Abstract

SnCS(NCl)2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four SnCS(NCl)2 clusters. Sn4+ is bonded in a 2-coordinate geometry to one S2- and two Cl1- atoms. The Sn–S bond length is 3.07 Å. There are one shorter (2.46 Å) and one longer (2.51 Å) Sn–Cl bond lengths. C4+ is bonded in a 3-coordinate geometry to two N2- and one S2- atom. Both C–N bond lengths are 1.39 Å. The C–S bond length is 1.61 Å. There are two inequivalent N2- sites. In the first N2- site, N2- is bonded in a 1-coordinate geometry to one C4+ and one N2- atom. The N–N bond length is 1.30 Å. In the second N2- site, N2- is bonded in a 1-coordinate geometry to one C4+ and one N2- atom. S2- is bonded in a 2-coordinate geometry to one Sn4+ and one C4+ atom. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Sn4+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Sn4+ atom.

Authors:: The Materials Project

Publication Date:: Thu Sep 05 00:00:00 EDT 2019

Other Number(s):: mp-1179427

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; SnCS(NCl)2; C-Cl-N-S-Sn

OSTI Identifier:: 1731834

DOI:: https://doi.org/10.17188/1731834

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                    The Materials Project. Materials Data on SnCS(NCl)2 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1731834.

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                    The Materials Project. Materials Data on SnCS(NCl)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1731834

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                    The Materials Project. 2019.  
"Materials Data on SnCS(NCl)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1731834.  https://www.osti.gov/servlets/purl/1731834. Pub date:Thu Sep 05 00:00:00 EDT 2019

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@article{osti_1731834,

  title        = {Materials Data on SnCS(NCl)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {SnCS(NCl)2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four SnCS(NCl)2 clusters. Sn4+ is bonded in a 2-coordinate geometry to one S2- and two Cl1- atoms. The Sn–S bond length is 3.07 Å. There are one shorter (2.46 Å) and one longer (2.51 Å) Sn–Cl bond lengths. C4+ is bonded in a 3-coordinate geometry to two N2- and one S2- atom. Both C–N bond lengths are 1.39 Å. The C–S bond length is 1.61 Å. There are two inequivalent N2- sites. In the first N2- site, N2- is bonded in a 1-coordinate geometry to one C4+ and one N2- atom. The N–N bond length is 1.30 Å. In the second N2- site, N2- is bonded in a 1-coordinate geometry to one C4+ and one N2- atom. S2- is bonded in a 2-coordinate geometry to one Sn4+ and one C4+ atom. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Sn4+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Sn4+ atom.},

  doi          = {10.17188/1731834},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Sep 05 00:00:00 EDT 2019},

  month        = {Thu Sep 05 00:00:00 EDT 2019}

}

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DOI: https://doi.org/10.17188/1731834

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