Materials Data on CuCSN by Materials Project

doi:10.17188/1267666

Title: Materials Data on CuCSN by Materials Project

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Abstract

CuSCN crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. Cu1+ is bonded to one N3- and three equivalent S2- atoms to form corner-sharing CuS3N tetrahedra. The Cu–N bond length is 1.90 Å. There are a spread of Cu–S bond distances ranging from 2.34–2.37 Å. C4+ is bonded in a distorted linear geometry to one N3- and one S2- atom. The C–N bond length is 1.18 Å. The C–S bond length is 1.66 Å. N3- is bonded in a linear geometry to one Cu1+ and one C4+ atom. S2- is bonded to three equivalent Cu1+ and one C4+ atom to form corner-sharing SCu3C tetrahedra.

Authors:: The Materials Project

Publication Date:: 2020-07-23

Other Number(s):: mp-553972

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; CuCSN; C-Cu-N-S

OSTI Identifier:: 1267666

DOI:: https://doi.org/10.17188/1267666

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                    The Materials Project. Materials Data on CuCSN by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1267666.

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                    The Materials Project. Materials Data on CuCSN by Materials Project.  United States.  doi:https://doi.org/10.17188/1267666

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                    The Materials Project. 2020.  
"Materials Data on CuCSN by Materials Project".  United States.  doi:https://doi.org/10.17188/1267666.  https://www.osti.gov/servlets/purl/1267666. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1267666,

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

  author       = {The Materials Project},

  abstractNote = {CuSCN crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. Cu1+ is bonded to one N3- and three equivalent S2- atoms to form corner-sharing CuS3N tetrahedra. The Cu–N bond length is 1.90 Å. There are a spread of Cu–S bond distances ranging from 2.34–2.37 Å. C4+ is bonded in a distorted linear geometry to one N3- and one S2- atom. The C–N bond length is 1.18 Å. The C–S bond length is 1.66 Å. N3- is bonded in a linear geometry to one Cu1+ and one C4+ atom. S2- is bonded to three equivalent Cu1+ and one C4+ atom to form corner-sharing SCu3C tetrahedra.},

  doi          = {10.17188/1267666},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1267666

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