Materials Data on CuS4(N2Cl)2 by Materials Project

doi:10.17188/1281229

Title: Materials Data on CuS4(N2Cl)2 by Materials Project

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Abstract

CuCl2(NS)4 crystallizes in the orthorhombic Pnma space group. The structure is one-dimensional and consists of four 1,3,5,7,2,4,6,8-tetrathiatetrazocane molecules and two CuCl2 ribbons oriented in the (1, 0, 0) direction. In each CuCl2 ribbon, Cu2+ is bonded in a square co-planar geometry to four Cl1- atoms. There are two shorter (2.31 Å) and two longer (2.32 Å) Cu–Cl bond lengths. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in an L-shaped geometry to two equivalent Cu2+ atoms. In the second Cl1- site, Cl1- is bonded in an L-shaped geometry to two equivalent Cu2+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-01

Other Number(s):: mp-653586

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; CuS4(N2Cl)2; Cl-Cu-N-S

OSTI Identifier:: 1281229

DOI:: https://doi.org/10.17188/1281229

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                    The Materials Project. Materials Data on CuS4(N2Cl)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1281229.

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                    The Materials Project. Materials Data on CuS4(N2Cl)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1281229

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                    The Materials Project. 2020.  
"Materials Data on CuS4(N2Cl)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1281229.  https://www.osti.gov/servlets/purl/1281229. Pub date:Fri May 01 00:00:00 EDT 2020

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@article{osti_1281229,

  title        = {Materials Data on CuS4(N2Cl)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {CuCl2(NS)4 crystallizes in the orthorhombic Pnma space group. The structure is one-dimensional and consists of four 1,3,5,7,2,4,6,8-tetrathiatetrazocane molecules and two CuCl2 ribbons oriented in the (1, 0, 0) direction. In each CuCl2 ribbon, Cu2+ is bonded in a square co-planar geometry to four Cl1- atoms. There are two shorter (2.31 Å) and two longer (2.32 Å) Cu–Cl bond lengths. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in an L-shaped geometry to two equivalent Cu2+ atoms. In the second Cl1- site, Cl1- is bonded in an L-shaped geometry to two equivalent Cu2+ atoms.},

  doi          = {10.17188/1281229},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1281229

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