Materials Data on ZnClO8 by Materials Project

doi:10.17188/1738748

Title: Materials Data on ZnClO8 by Materials Project

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Abstract

ZnO8Cl crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two ZnO8Cl clusters. Zn is bonded to four O atoms to form ZnO4 tetrahedra that share corners with two equivalent ClO4 tetrahedra. There are a spread of Zn–O bond distances ranging from 2.00–2.02 Å. There are eight inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one Cl atom. The O–Cl bond length is 1.42 Å. In the second O site, O is bonded in a single-bond geometry to one Cl atom. The O–Cl bond length is 1.43 Å. In the third O site, O is bonded in a single-bond geometry to one O atom. The O–O bond length is 1.29 Å. In the fourth O site, O is bonded in a distorted water-like geometry to one Zn and one O atom. In the fifth O site, O is bonded in a bent 120 degrees geometry to one Zn and one Cl atom. The O–Cl bond length is 1.52 Å. In the sixth O site, O is bonded in a bent 120 degrees geometry to one Zn and one O atom. The O–O bond length is 1.28 Å.more »« less

Publication Date:: 2020-04-30

Other Number(s):: mp-1207660

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; Cl-O-Zn; ZnClO8; crystal structure

OSTI Identifier:: 1738748

DOI:: https://doi.org/10.17188/1738748

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                    Materials Data on ZnClO8 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1738748.

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                    Materials Data on ZnClO8 by Materials Project.  United States.  doi:https://doi.org/10.17188/1738748

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                    2020.  
"Materials Data on ZnClO8 by Materials Project".  United States.  doi:https://doi.org/10.17188/1738748.  https://www.osti.gov/servlets/purl/1738748. Pub date:Thu Apr 30 00:00:00 EDT 2020

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@article{osti_1738748,

  title        = {Materials Data on ZnClO8 by Materials Project},

  
  abstractNote = {ZnO8Cl crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two ZnO8Cl clusters. Zn is bonded to four O atoms to form ZnO4 tetrahedra that share corners with two equivalent ClO4 tetrahedra. There are a spread of Zn–O bond distances ranging from 2.00–2.02 Å. There are eight inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one Cl atom. The O–Cl bond length is 1.42 Å. In the second O site, O is bonded in a single-bond geometry to one Cl atom. The O–Cl bond length is 1.43 Å. In the third O site, O is bonded in a single-bond geometry to one O atom. The O–O bond length is 1.29 Å. In the fourth O site, O is bonded in a distorted water-like geometry to one Zn and one O atom. In the fifth O site, O is bonded in a bent 120 degrees geometry to one Zn and one Cl atom. The O–Cl bond length is 1.52 Å. In the sixth O site, O is bonded in a bent 120 degrees geometry to one Zn and one O atom. The O–O bond length is 1.28 Å. In the seventh O site, O is bonded in a bent 120 degrees geometry to one Zn and one Cl atom. The O–Cl bond length is 1.53 Å. In the eighth O site, O is bonded in a single-bond geometry to one O atom. Cl is bonded to four O atoms to form ClO4 tetrahedra that share corners with two equivalent ZnO4 tetrahedra.},

  doi          = {10.17188/1738748},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1738748

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