Materials Data on NaGaCl4 by Materials Project

doi:10.17188/1746513

Title: Materials Data on NaGaCl4 by Materials Project

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Abstract

NaGaCl4 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. Na1+ is bonded in a 7-coordinate geometry to seven Cl1- atoms. There are a spread of Na–Cl bond distances ranging from 2.88–3.36 Å. Ga3+ is bonded in a tetrahedral geometry to four Cl1- atoms. There are a spread of Ga–Cl bond distances ranging from 2.20–2.22 Å. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 2-coordinate geometry to two equivalent Na1+ and one Ga3+ atom. In the second Cl1- site, Cl1- is bonded in a bent 120 degrees geometry to one Na1+ and one Ga3+ atom. In the third Cl1- site, Cl1- is bonded in a 3-coordinate geometry to two equivalent Na1+ and one Ga3+ atom. In the fourth Cl1- site, Cl1- is bonded in a 3-coordinate geometry to two equivalent Na1+ and one Ga3+ atom.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1190761

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; NaGaCl4; Cl-Ga-Na

OSTI Identifier:: 1746513

DOI:: https://doi.org/10.17188/1746513

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                    The Materials Project. Materials Data on NaGaCl4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1746513.

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                    The Materials Project. Materials Data on NaGaCl4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1746513

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                    The Materials Project. 2020.  
"Materials Data on NaGaCl4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1746513.  https://www.osti.gov/servlets/purl/1746513. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1746513,

  title        = {Materials Data on NaGaCl4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {NaGaCl4 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. Na1+ is bonded in a 7-coordinate geometry to seven Cl1- atoms. There are a spread of Na–Cl bond distances ranging from 2.88–3.36 Å. Ga3+ is bonded in a tetrahedral geometry to four Cl1- atoms. There are a spread of Ga–Cl bond distances ranging from 2.20–2.22 Å. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 2-coordinate geometry to two equivalent Na1+ and one Ga3+ atom. In the second Cl1- site, Cl1- is bonded in a bent 120 degrees geometry to one Na1+ and one Ga3+ atom. In the third Cl1- site, Cl1- is bonded in a 3-coordinate geometry to two equivalent Na1+ and one Ga3+ atom. In the fourth Cl1- site, Cl1- is bonded in a 3-coordinate geometry to two equivalent Na1+ and one Ga3+ atom.},

  doi          = {10.17188/1746513},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1746513

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