Materials Data on CS5 by Materials Project

doi:10.17188/1741295

Title: Materials Data on CS5 by Materials Project

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Abstract

CS5 crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four methane molecules, four octasulfur molecules, and four CS2 clusters. In each CS2 cluster, C4+ is bonded in a linear geometry to two S+0.80- atoms. Both C–S bond lengths are 1.56 Å. There are two inequivalent S+0.80- sites. In the first S+0.80- site, S+0.80- is bonded in a single-bond geometry to one C4+ atom. In the second S+0.80- site, S+0.80- is bonded in a single-bond geometry to one C4+ atom.

Authors:: The Materials Project

Publication Date:: Sat Jan 12 00:00:00 EST 2019

Other Number(s):: mp-1215005

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; CS5; C-S

OSTI Identifier:: 1741295

DOI:: https://doi.org/10.17188/1741295

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                    The Materials Project. Materials Data on CS5 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1741295.

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                    The Materials Project. Materials Data on CS5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1741295

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                    The Materials Project. 2019.  
"Materials Data on CS5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1741295.  https://www.osti.gov/servlets/purl/1741295. Pub date:Sat Jan 12 00:00:00 EST 2019

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@article{osti_1741295,

  title        = {Materials Data on CS5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {CS5 crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four methane molecules, four octasulfur molecules, and four CS2 clusters. In each CS2 cluster, C4+ is bonded in a linear geometry to two S+0.80- atoms. Both C–S bond lengths are 1.56 Å. There are two inequivalent S+0.80- sites. In the first S+0.80- site, S+0.80- is bonded in a single-bond geometry to one C4+ atom. In the second S+0.80- site, S+0.80- is bonded in a single-bond geometry to one C4+ atom.},

  doi          = {10.17188/1741295},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat Jan 12 00:00:00 EST 2019},

  month        = {Sat Jan 12 00:00:00 EST 2019}

}

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DOI: https://doi.org/10.17188/1741295

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