Materials Data on PAuCl8 by Materials Project

doi:10.17188/1202508

Title: Materials Data on PAuCl8 by Materials Project

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Abstract

AuCl4PCl4 is alpha iridium vanadium structured and crystallizes in the orthorhombic Imma space group. The structure is zero-dimensional and consists of eight [pcl4]+1 molecules and eight AuCl4 clusters. In each AuCl4 cluster, Au3+ is bonded in a square co-planar geometry to four Cl1- atoms. There are three shorter (2.32 Å) and one longer (2.33 Å) Au–Cl bond lengths. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Au3+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Au3+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Au3+ atom.

Publication Date:: 2020-07-15

Other Number(s):: mp-28387

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-Cl-P; PAuCl8; crystal structure

OSTI Identifier:: 1202508

DOI:: https://doi.org/10.17188/1202508

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                    Materials Data on PAuCl8 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1202508.

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                    Materials Data on PAuCl8 by Materials Project.  United States.  doi:https://doi.org/10.17188/1202508

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                    2020.  
"Materials Data on PAuCl8 by Materials Project".  United States.  doi:https://doi.org/10.17188/1202508.  https://www.osti.gov/servlets/purl/1202508. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1202508,

  title        = {Materials Data on PAuCl8 by Materials Project},

  
  abstractNote = {AuCl4PCl4 is alpha iridium vanadium structured and crystallizes in the orthorhombic Imma space group. The structure is zero-dimensional and consists of eight [pcl4]+1 molecules and eight AuCl4 clusters. In each AuCl4 cluster, Au3+ is bonded in a square co-planar geometry to four Cl1- atoms. There are three shorter (2.32 Å) and one longer (2.33 Å) Au–Cl bond lengths. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Au3+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Au3+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Au3+ atom.},

  doi          = {10.17188/1202508},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1202508

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