Materials Data on BaZnCl4 by Materials Project

doi:10.17188/1199462

Title: Materials Data on BaZnCl4 by Materials Project

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Abstract

BaZnCl4 is Zircon-like structured and crystallizes in the orthorhombic Pnna space group. The structure is three-dimensional. Ba2+ is bonded in a 8-coordinate geometry to eight Cl1- atoms. There are a spread of Ba–Cl bond distances ranging from 3.21–3.26 Å. Zn2+ is bonded in a tetrahedral geometry to four Cl1- atoms. There are two shorter (2.29 Å) and two longer (2.30 Å) Zn–Cl bond lengths. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 1-coordinate geometry to two equivalent Ba2+ and one Zn2+ atom. In the second Cl1- site, Cl1- is bonded in a 1-coordinate geometry to two equivalent Ba2+ and one Zn2+ atom.

Authors:: The Materials Project

Publication Date:: Thu Jul 23 00:00:00 EDT 2020

Other Number(s):: mp-23373

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; BaZnCl4; Ba-Cl-Zn

OSTI Identifier:: 1199462

DOI:: https://doi.org/10.17188/1199462

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                    The Materials Project. Materials Data on BaZnCl4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1199462.

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                    The Materials Project. Materials Data on BaZnCl4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1199462

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                    The Materials Project. 2020.  
"Materials Data on BaZnCl4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1199462.  https://www.osti.gov/servlets/purl/1199462. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1199462,

  title        = {Materials Data on BaZnCl4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {BaZnCl4 is Zircon-like structured and crystallizes in the orthorhombic Pnna space group. The structure is three-dimensional. Ba2+ is bonded in a 8-coordinate geometry to eight Cl1- atoms. There are a spread of Ba–Cl bond distances ranging from 3.21–3.26 Å. Zn2+ is bonded in a tetrahedral geometry to four Cl1- atoms. There are two shorter (2.29 Å) and two longer (2.30 Å) Zn–Cl bond lengths. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 1-coordinate geometry to two equivalent Ba2+ and one Zn2+ atom. In the second Cl1- site, Cl1- is bonded in a 1-coordinate geometry to two equivalent Ba2+ and one Zn2+ atom.},

  doi          = {10.17188/1199462},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 23 00:00:00 EDT 2020},

  month        = {Thu Jul 23 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1199462

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