Materials Data on CSN2 by Materials Project

doi:10.17188/1688932

Title: Materials Data on CSN2 by Materials Project

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Abstract

CN2S is High Pressure Cadmuum Telluride-derived structured and crystallizes in the monoclinic Pc space group. The structure is zero-dimensional and consists of two amino-isothiocyanate molecules. C4+ is bonded in a linear geometry to one N1- and one S2- atom. The C–N bond length is 1.23 Å. The C–S bond length is 1.57 Å. There are two inequivalent N1- sites. In the first N1- site, N1- is bonded in a distorted linear geometry to one C4+ and one N1- atom. The N–N bond length is 1.20 Å. In the second N1- site, N1- is bonded in a single-bond geometry to one N1- atom. S2- is bonded in a single-bond geometry to one C4+ atom.

Authors:: The Materials Project

Publication Date:: Sun Jan 13 00:00:00 EST 2019

Other Number(s):: mp-1227602

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; CSN2; C-N-S

OSTI Identifier:: 1688932

DOI:: https://doi.org/10.17188/1688932

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                    The Materials Project. Materials Data on CSN2 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1688932.

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                    The Materials Project. Materials Data on CSN2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1688932

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                    The Materials Project. 2019.  
"Materials Data on CSN2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1688932.  https://www.osti.gov/servlets/purl/1688932. Pub date:Sun Jan 13 00:00:00 EST 2019

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@article{osti_1688932,

  title        = {Materials Data on CSN2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {CN2S is High Pressure Cadmuum Telluride-derived structured and crystallizes in the monoclinic Pc space group. The structure is zero-dimensional and consists of two amino-isothiocyanate molecules. C4+ is bonded in a linear geometry to one N1- and one S2- atom. The C–N bond length is 1.23 Å. The C–S bond length is 1.57 Å. There are two inequivalent N1- sites. In the first N1- site, N1- is bonded in a distorted linear geometry to one C4+ and one N1- atom. The N–N bond length is 1.20 Å. In the second N1- site, N1- is bonded in a single-bond geometry to one N1- atom. S2- is bonded in a single-bond geometry to one C4+ atom.},

  doi          = {10.17188/1688932},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sun Jan 13 00:00:00 EST 2019},

  month        = {Sun Jan 13 00:00:00 EST 2019}

}

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DOI: https://doi.org/10.17188/1688932

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