Materials Data on SnCNCl3 by Materials Project

doi:10.17188/1730858

Title: Materials Data on SnCNCl3 by Materials Project

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Abstract

SnCl2CNCl crystallizes in the monoclinic Pc space group. The structure is two-dimensional and consists of two cyanogen chloride molecules and one SnCl2 sheet oriented in the (0, 1, 0) direction. In the SnCl2 sheet, Sn2+ is bonded to four Cl1- atoms to form distorted corner-sharing SnCl4 tetrahedra. There are a spread of Sn–Cl bond distances ranging from 2.59–2.98 Å. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a bent 150 degrees geometry to two equivalent Sn2+ atoms. In the second Cl1- site, Cl1- is bonded in a linear geometry to two equivalent Sn2+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1103126

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; SnCNCl3; C-Cl-N-Sn

OSTI Identifier:: 1730858

DOI:: https://doi.org/10.17188/1730858

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                    The Materials Project. Materials Data on SnCNCl3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1730858.

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                    The Materials Project. Materials Data on SnCNCl3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1730858

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                    The Materials Project. 2020.  
"Materials Data on SnCNCl3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1730858.  https://www.osti.gov/servlets/purl/1730858. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1730858,

  title        = {Materials Data on SnCNCl3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {SnCl2CNCl crystallizes in the monoclinic Pc space group. The structure is two-dimensional and consists of two cyanogen chloride molecules and one SnCl2 sheet oriented in the (0, 1, 0) direction. In the SnCl2 sheet, Sn2+ is bonded to four Cl1- atoms to form distorted corner-sharing SnCl4 tetrahedra. There are a spread of Sn–Cl bond distances ranging from 2.59–2.98 Å. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a bent 150 degrees geometry to two equivalent Sn2+ atoms. In the second Cl1- site, Cl1- is bonded in a linear geometry to two equivalent Sn2+ atoms.},

  doi          = {10.17188/1730858},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1730858

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