Materials Data on ZnCl2 by Materials Project

doi:10.17188/1276312

Title: Materials Data on ZnCl2 by Materials Project

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Abstract

ZnCl2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are three inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded to four Cl1- atoms to form corner-sharing ZnCl4 tetrahedra. There are two shorter (2.30 Å) and two longer (2.31 Å) Zn–Cl bond lengths. In the second Zn2+ site, Zn2+ is bonded to four Cl1- atoms to form corner-sharing ZnCl4 tetrahedra. There are two shorter (2.30 Å) and two longer (2.31 Å) Zn–Cl bond lengths. In the third Zn2+ site, Zn2+ is bonded to four Cl1- atoms to form corner-sharing ZnCl4 tetrahedra. There are a spread of Zn–Cl bond distances ranging from 2.29–2.32 Å. There are six inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a water-like geometry to two Zn2+ atoms. In the second Cl1- site, Cl1- is bonded in a water-like geometry to two Zn2+ atoms. In the third Cl1- site, Cl1- is bonded in a bent 120 degrees geometry to two Zn2+ atoms. In the fourth Cl1- site, Cl1- is bonded in a bent 120 degrees geometry to two Zn2+ atoms. In the fifth Cl1- site, Cl1- is bonded in a bent 120 degrees geometry to two Zn2+more »« less

Authors:: The Materials Project

Publication Date:: Sat May 02 00:00:00 EDT 2020

Other Number(s):: mp-571540

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; ZnCl2; Cl-Zn

OSTI Identifier:: 1276312

DOI:: https://doi.org/10.17188/1276312

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                    The Materials Project. Materials Data on ZnCl2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1276312.

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                    The Materials Project. Materials Data on ZnCl2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1276312

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                    The Materials Project. 2020.  
"Materials Data on ZnCl2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1276312.  https://www.osti.gov/servlets/purl/1276312. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1276312,

  title        = {Materials Data on ZnCl2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {ZnCl2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are three inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded to four Cl1- atoms to form corner-sharing ZnCl4 tetrahedra. There are two shorter (2.30 Å) and two longer (2.31 Å) Zn–Cl bond lengths. In the second Zn2+ site, Zn2+ is bonded to four Cl1- atoms to form corner-sharing ZnCl4 tetrahedra. There are two shorter (2.30 Å) and two longer (2.31 Å) Zn–Cl bond lengths. In the third Zn2+ site, Zn2+ is bonded to four Cl1- atoms to form corner-sharing ZnCl4 tetrahedra. There are a spread of Zn–Cl bond distances ranging from 2.29–2.32 Å. There are six inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a water-like geometry to two Zn2+ atoms. In the second Cl1- site, Cl1- is bonded in a water-like geometry to two Zn2+ atoms. In the third Cl1- site, Cl1- is bonded in a bent 120 degrees geometry to two Zn2+ atoms. In the fourth Cl1- site, Cl1- is bonded in a bent 120 degrees geometry to two Zn2+ atoms. In the fifth Cl1- site, Cl1- is bonded in a bent 120 degrees geometry to two Zn2+ atoms. In the sixth Cl1- site, Cl1- is bonded in a bent 120 degrees geometry to two Zn2+ atoms.},

  doi          = {10.17188/1276312},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 02 00:00:00 EDT 2020},

  month        = {Sat May 02 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1276312

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