Materials Data on SCl4 by Materials Project

doi:10.17188/1729597

Title: Materials Data on SCl4 by Materials Project

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Abstract

SCl4 crystallizes in the cubic P-43n space group. The structure is zero-dimensional and consists of eight SCl4 clusters. S4+ is bonded to six Cl1- atoms to form distorted edge-sharing SCl6 octahedra. There are three shorter (2.09 Å) and three longer (2.78 Å) S–Cl bond lengths. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one S4+ atom. In the second Cl1- site, Cl1- is bonded in a 3-coordinate geometry to three equivalent S4+ atoms.

Authors:: The Materials Project

Publication Date:: 2019-01-12

Other Number(s):: mp-1210452

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; SCl4; Cl-S

OSTI Identifier:: 1729597

DOI:: https://doi.org/10.17188/1729597

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                    The Materials Project. Materials Data on SCl4 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1729597.

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                    The Materials Project. Materials Data on SCl4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1729597

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                    The Materials Project. 2019.  
"Materials Data on SCl4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1729597.  https://www.osti.gov/servlets/purl/1729597. Pub date:Sat Jan 12 00:00:00 EST 2019

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@article{osti_1729597,

  title        = {Materials Data on SCl4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {SCl4 crystallizes in the cubic P-43n space group. The structure is zero-dimensional and consists of eight SCl4 clusters. S4+ is bonded to six Cl1- atoms to form distorted edge-sharing SCl6 octahedra. There are three shorter (2.09 Å) and three longer (2.78 Å) S–Cl bond lengths. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one S4+ atom. In the second Cl1- site, Cl1- is bonded in a 3-coordinate geometry to three equivalent S4+ atoms.},

  doi          = {10.17188/1729597},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

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DOI: https://doi.org/10.17188/1729597

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