Materials Data on Zn2InI4 by Materials Project

doi:10.17188/1681332

Title: Materials Data on Zn2InI4 by Materials Project

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Abstract

Zn2InI4 crystallizes in the monoclinic P2_1/m space group. The structure is two-dimensional and consists of two Zn2InI4 sheets oriented in the (0, 1, 0) direction. there are two inequivalent Zn sites. In the first Zn site, Zn is bonded in a tetrahedral geometry to four I atoms. There are a spread of Zn–I bond distances ranging from 2.62–2.71 Å. In the second Zn site, Zn is bonded in a 3-coordinate geometry to one In and two I atoms. The Zn–In bond length is 2.77 Å. There are one shorter (2.71 Å) and one longer (2.77 Å) Zn–I bond lengths. In is bonded in a distorted rectangular see-saw-like geometry to one Zn and three I atoms. There are one shorter (3.25 Å) and two longer (3.42 Å) In–I bond lengths. There are three inequivalent I sites. In the first I site, I is bonded in an L-shaped geometry to two Zn atoms. In the second I site, I is bonded in a distorted single-bond geometry to one Zn and one In atom. In the third I site, I is bonded in a 3-coordinate geometry to two Zn and one In atom.

Authors:: The Materials Project

Publication Date:: 2019-01-12

Other Number(s):: mp-1207577

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; Zn2InI4; I-In-Zn

OSTI Identifier:: 1681332

DOI:: https://doi.org/10.17188/1681332

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                    The Materials Project. Materials Data on Zn2InI4 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1681332.

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                    The Materials Project. Materials Data on Zn2InI4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1681332

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                    The Materials Project. 2019.  
"Materials Data on Zn2InI4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1681332.  https://www.osti.gov/servlets/purl/1681332. Pub date:Sat Jan 12 00:00:00 EST 2019

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@article{osti_1681332,

  title        = {Materials Data on Zn2InI4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Zn2InI4 crystallizes in the monoclinic P2_1/m space group. The structure is two-dimensional and consists of two Zn2InI4 sheets oriented in the (0, 1, 0) direction. there are two inequivalent Zn sites. In the first Zn site, Zn is bonded in a tetrahedral geometry to four I atoms. There are a spread of Zn–I bond distances ranging from 2.62–2.71 Å. In the second Zn site, Zn is bonded in a 3-coordinate geometry to one In and two I atoms. The Zn–In bond length is 2.77 Å. There are one shorter (2.71 Å) and one longer (2.77 Å) Zn–I bond lengths. In is bonded in a distorted rectangular see-saw-like geometry to one Zn and three I atoms. There are one shorter (3.25 Å) and two longer (3.42 Å) In–I bond lengths. There are three inequivalent I sites. In the first I site, I is bonded in an L-shaped geometry to two Zn atoms. In the second I site, I is bonded in a distorted single-bond geometry to one Zn and one In atom. In the third I site, I is bonded in a 3-coordinate geometry to two Zn and one In atom.},

  doi          = {10.17188/1681332},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

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