Materials Data on Ga2CuCl8 by Materials Project

doi:10.17188/1203666

Title: Materials Data on Ga2CuCl8 by Materials Project

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Abstract

Cu(GaCl4)2 is Hg_xSn structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two Cu(GaCl4)2 clusters. Cu2+ is bonded in a distorted square co-planar geometry to four Cl1- atoms. All Cu–Cl bond lengths are 2.31 Å. Ga3+ is bonded in a tetrahedral geometry to four Cl1- atoms. There are a spread of Ga–Cl bond distances ranging from 2.13–2.29 Å. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Ga3+ atom. In the second Cl1- site, Cl1- is bonded in an L-shaped geometry to one Cu2+ and one Ga3+ atom. In the third Cl1- site, Cl1- is bonded in an L-shaped geometry to one Cu2+ and one Ga3+ atom. In the fourth Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Ga3+ atom.

Authors:: The Materials Project

Publication Date:: 2020-07-23

Other Number(s):: mp-29300

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; Ga2CuCl8; Cl-Cu-Ga

OSTI Identifier:: 1203666

DOI:: https://doi.org/10.17188/1203666

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                    The Materials Project. Materials Data on Ga2CuCl8 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1203666.

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                    The Materials Project. Materials Data on Ga2CuCl8 by Materials Project.  United States.  doi:https://doi.org/10.17188/1203666

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                    The Materials Project. 2020.  
"Materials Data on Ga2CuCl8 by Materials Project".  United States.  doi:https://doi.org/10.17188/1203666.  https://www.osti.gov/servlets/purl/1203666. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1203666,

  title        = {Materials Data on Ga2CuCl8 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Cu(GaCl4)2 is Hg_xSn structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two Cu(GaCl4)2 clusters. Cu2+ is bonded in a distorted square co-planar geometry to four Cl1- atoms. All Cu–Cl bond lengths are 2.31 Å. Ga3+ is bonded in a tetrahedral geometry to four Cl1- atoms. There are a spread of Ga–Cl bond distances ranging from 2.13–2.29 Å. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Ga3+ atom. In the second Cl1- site, Cl1- is bonded in an L-shaped geometry to one Cu2+ and one Ga3+ atom. In the third Cl1- site, Cl1- is bonded in an L-shaped geometry to one Cu2+ and one Ga3+ atom. In the fourth Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Ga3+ atom.},

  doi          = {10.17188/1203666},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1203666

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