Materials Data on ZnAu2(Cl4O)2 by Materials Project

doi:10.17188/1652993

Title: Materials Data on ZnAu2(Cl4O)2 by Materials Project

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Abstract

Au2Zn(OCl4)2 crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of two Au2Zn(OCl4)2 ribbons oriented in the (0, 1, 0) direction. there are two inequivalent Au5+ sites. In the first Au5+ site, Au5+ is bonded in a rectangular see-saw-like geometry to four Cl1- atoms. There are a spread of Au–Cl bond distances ranging from 2.29–2.39 Å. In the second Au5+ site, Au5+ is bonded in a rectangular see-saw-like geometry to four Cl1- atoms. There are a spread of Au–Cl bond distances ranging from 2.28–2.37 Å. Zn2+ is bonded in a trigonal bipyramidal geometry to one O2- and four Cl1- atoms. The Zn–O bond length is 2.53 Å. There are a spread of Zn–Cl bond distances ranging from 2.32–2.41 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted water-like geometry to one Zn2+ and one O2- atom. The O–O bond length is 1.24 Å. In the second O2- site, O2- is bonded in a distorted water-like geometry to one O2- and one Cl1- atom. The O–Cl bond length is 2.97 Å. There are eight inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in an L-shapedmore »« less

Authors:: The Materials Project

Publication Date:: 2020-04-30

Other Number(s):: mp-1178765

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; ZnAu2(Cl4O)2; Au-Cl-O-Zn

OSTI Identifier:: 1652993

DOI:: https://doi.org/10.17188/1652993

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                    The Materials Project. Materials Data on ZnAu2(Cl4O)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1652993.

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                    The Materials Project. Materials Data on ZnAu2(Cl4O)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1652993

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                    The Materials Project. 2020.  
"Materials Data on ZnAu2(Cl4O)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1652993.  https://www.osti.gov/servlets/purl/1652993. Pub date:Thu Apr 30 00:00:00 EDT 2020

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@article{osti_1652993,

  title        = {Materials Data on ZnAu2(Cl4O)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Au2Zn(OCl4)2 crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of two Au2Zn(OCl4)2 ribbons oriented in the (0, 1, 0) direction. there are two inequivalent Au5+ sites. In the first Au5+ site, Au5+ is bonded in a rectangular see-saw-like geometry to four Cl1- atoms. There are a spread of Au–Cl bond distances ranging from 2.29–2.39 Å. In the second Au5+ site, Au5+ is bonded in a rectangular see-saw-like geometry to four Cl1- atoms. There are a spread of Au–Cl bond distances ranging from 2.28–2.37 Å. Zn2+ is bonded in a trigonal bipyramidal geometry to one O2- and four Cl1- atoms. The Zn–O bond length is 2.53 Å. There are a spread of Zn–Cl bond distances ranging from 2.32–2.41 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted water-like geometry to one Zn2+ and one O2- atom. The O–O bond length is 1.24 Å. In the second O2- site, O2- is bonded in a distorted water-like geometry to one O2- and one Cl1- atom. The O–Cl bond length is 2.97 Å. There are eight inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in an L-shaped geometry to one Au5+ and one Zn2+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Au5+ atom. In the third Cl1- site, Cl1- is bonded in a 2-coordinate geometry to one Au5+ and one O2- atom. In the fourth Cl1- site, Cl1- is bonded in an L-shaped geometry to one Au5+ and one Zn2+ atom. In the fifth Cl1- site, Cl1- is bonded in an L-shaped geometry to one Au5+ and one Zn2+ atom. In the sixth Cl1- site, Cl1- is bonded in a single-bond geometry to one Au5+ atom. In the seventh Cl1- site, Cl1- is bonded in a single-bond geometry to one Au5+ atom. In the eighth Cl1- site, Cl1- is bonded in a distorted L-shaped geometry to one Au5+ and one Zn2+ atom.},

  doi          = {10.17188/1652993},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1652993

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