Materials Data on ZnSb2Cl2O3 by Materials Project

doi:10.17188/1662305

Title: Materials Data on ZnSb2Cl2O3 by Materials Project

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Abstract

ZnSb2O3Cl2 crystallizes in the orthorhombic Pnma space group. The structure is two-dimensional and consists of two ZnSb2O3Cl2 sheets oriented in the (0, 0, 1) direction. Zn2+ is bonded in a 4-coordinate geometry to two equivalent O2- and two Cl1- atoms. Both Zn–O bond lengths are 2.11 Å. Both Zn–Cl bond lengths are 2.25 Å. There are two inequivalent Sb3+ sites. In the first Sb3+ site, Sb3+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are one shorter (1.98 Å) and two longer (2.03 Å) Sb–O bond lengths. In the second Sb3+ site, Sb3+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are one shorter (1.98 Å) and two longer (2.05 Å) Sb–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to two Sb3+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to one Zn2+ and two Sb3+ atoms. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Zn2+ atom. In the second Cl1- site, Cl1- is bonded in a single-bondmore » geometry to one Zn2+ atom.« less

Authors:: The Materials Project

Publication Date:: 2020-07-18

Other Number(s):: mp-1199855

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; ZnSb2Cl2O3; Cl-O-Sb-Zn

OSTI Identifier:: 1662305

DOI:: https://doi.org/10.17188/1662305

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                    The Materials Project. Materials Data on ZnSb2Cl2O3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1662305.

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                    The Materials Project. Materials Data on ZnSb2Cl2O3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1662305

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                    The Materials Project. 2020.  
"Materials Data on ZnSb2Cl2O3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1662305.  https://www.osti.gov/servlets/purl/1662305. Pub date:Sat Jul 18 00:00:00 EDT 2020

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@article{osti_1662305,

  title        = {Materials Data on ZnSb2Cl2O3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {ZnSb2O3Cl2 crystallizes in the orthorhombic Pnma space group. The structure is two-dimensional and consists of two ZnSb2O3Cl2 sheets oriented in the (0, 0, 1) direction. Zn2+ is bonded in a 4-coordinate geometry to two equivalent O2- and two Cl1- atoms. Both Zn–O bond lengths are 2.11 Å. Both Zn–Cl bond lengths are 2.25 Å. There are two inequivalent Sb3+ sites. In the first Sb3+ site, Sb3+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are one shorter (1.98 Å) and two longer (2.03 Å) Sb–O bond lengths. In the second Sb3+ site, Sb3+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are one shorter (1.98 Å) and two longer (2.05 Å) Sb–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to two Sb3+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to one Zn2+ and two Sb3+ atoms. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Zn2+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Zn2+ atom.},

  doi          = {10.17188/1662305},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1662305

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