Materials Data on AuC5(SCl)4 by Materials Project

doi:10.17188/1281128

Title: Materials Data on AuC5(SCl)4 by Materials Project

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Abstract

AuCl4C5S4 crystallizes in the monoclinic C2/m space group. The structure is zero-dimensional and consists of four 4,5-bis(methylsulfanyl)-1,3-dithiole molecules and four AuCl4 clusters. In each AuCl4 cluster, Au1- is bonded in a rectangular see-saw-like geometry to four Cl1- atoms. There are a spread of Au–Cl bond distances ranging from 2.31–2.34 Å. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Au1- atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Au1- atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Au1- atom.

Publication Date:: 2020-07-22

Other Number(s):: mp-652180

DOE Contract Number:: AC02-05CH11231

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; Au-C-Cl-S; AuC5(SCl)4; crystal structure

OSTI Identifier:: 1281128

DOI:: https://doi.org/10.17188/1281128

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                    Materials Data on AuC5(SCl)4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1281128.

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                    Materials Data on AuC5(SCl)4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1281128

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                    2020.  
"Materials Data on AuC5(SCl)4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1281128.  https://www.osti.gov/servlets/purl/1281128. Pub date:Wed Jul 22 04:00:00 UTC 2020

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@article{osti_1281128,

  title        = {Materials Data on AuC5(SCl)4 by Materials Project},

  
  abstractNote = {AuCl4C5S4 crystallizes in the monoclinic C2/m space group. The structure is zero-dimensional and consists of four 4,5-bis(methylsulfanyl)-1,3-dithiole molecules and four AuCl4 clusters. In each AuCl4 cluster, Au1- is bonded in a rectangular see-saw-like geometry to four Cl1- atoms. There are a spread of Au–Cl bond distances ranging from 2.31–2.34 Å. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Au1- atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Au1- atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Au1- atom.},

  doi          = {10.17188/1281128},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1281128

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