Materials Data on C2Se(SN)2 by Materials Project

doi:10.17188/1281392

Title: Materials Data on C2Se(SN)2 by Materials Project

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Abstract

C2Se(NS)2 crystallizes in the orthorhombic Pnma space group. The structure is one-dimensional and consists of two C2Se(NS)2 ribbons oriented in the (0, 1, 0) direction. C4+ is bonded in a distorted linear geometry to one N1- and one S2- atom. The C–N bond length is 1.18 Å. The C–S bond length is 1.68 Å. N1- is bonded in a single-bond geometry to one C4+ and one Se2- atom. The N–Se bond length is 2.94 Å. Se2- is bonded in a rectangular see-saw-like geometry to two equivalent N1- and two equivalent S2- atoms. Both Se–S bond lengths are 2.25 Å. S2- is bonded in a 2-coordinate geometry to one C4+ and one Se2- atom.

Authors:: The Materials Project

Publication Date:: Sat Jul 18 00:00:00 EDT 2020

Other Number(s):: mp-6615

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; C2Se(SN)2; C-N-S-Se

OSTI Identifier:: 1281392

DOI:: https://doi.org/10.17188/1281392

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                    The Materials Project. Materials Data on C2Se(SN)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1281392.

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                    The Materials Project. Materials Data on C2Se(SN)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1281392

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                    The Materials Project. 2020.  
"Materials Data on C2Se(SN)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1281392.  https://www.osti.gov/servlets/purl/1281392. Pub date:Sat Jul 18 00:00:00 EDT 2020

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@article{osti_1281392,

  title        = {Materials Data on C2Se(SN)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {C2Se(NS)2 crystallizes in the orthorhombic Pnma space group. The structure is one-dimensional and consists of two C2Se(NS)2 ribbons oriented in the (0, 1, 0) direction. C4+ is bonded in a distorted linear geometry to one N1- and one S2- atom. The C–N bond length is 1.18 Å. The C–S bond length is 1.68 Å. N1- is bonded in a single-bond geometry to one C4+ and one Se2- atom. The N–Se bond length is 2.94 Å. Se2- is bonded in a rectangular see-saw-like geometry to two equivalent N1- and two equivalent S2- atoms. Both Se–S bond lengths are 2.25 Å. S2- is bonded in a 2-coordinate geometry to one C4+ and one Se2- atom.},

  doi          = {10.17188/1281392},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat Jul 18 00:00:00 EDT 2020},

  month        = {Sat Jul 18 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1281392

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