Materials Data on Zn3In by Materials Project

doi:10.17188/1719179

Title: Materials Data on Zn3In by Materials Project

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Abstract

Zn3In is Titanium Disilicide-like structured and crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Zn sites. In the first Zn site, Zn is bonded in a 10-coordinate geometry to six equivalent Zn and four equivalent In atoms. There are four shorter (2.68 Å) and two longer (2.78 Å) Zn–Zn bond lengths. There are two shorter (2.82 Å) and two longer (3.25 Å) Zn–In bond lengths. In the second Zn site, Zn is bonded in a 10-coordinate geometry to seven Zn and three equivalent In atoms. There are a spread of Zn–Zn bond distances ranging from 2.50–2.95 Å. There are two shorter (3.11 Å) and one longer (3.18 Å) Zn–In bond lengths. In is bonded in a 2-coordinate geometry to ten Zn atoms.

Authors:: The Materials Project

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

Other Number(s):: mp-1188074

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; Zn3In; In-Zn

OSTI Identifier:: 1719179

DOI:: https://doi.org/10.17188/1719179

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                    The Materials Project. Materials Data on Zn3In by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1719179.

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                    The Materials Project. Materials Data on Zn3In by Materials Project.  United States.  doi:https://doi.org/10.17188/1719179

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                    The Materials Project. 2020.  
"Materials Data on Zn3In by Materials Project".  United States.  doi:https://doi.org/10.17188/1719179.  https://www.osti.gov/servlets/purl/1719179. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1719179,

  title        = {Materials Data on Zn3In by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Zn3In is Titanium Disilicide-like structured and crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Zn sites. In the first Zn site, Zn is bonded in a 10-coordinate geometry to six equivalent Zn and four equivalent In atoms. There are four shorter (2.68 Å) and two longer (2.78 Å) Zn–Zn bond lengths. There are two shorter (2.82 Å) and two longer (3.25 Å) Zn–In bond lengths. In the second Zn site, Zn is bonded in a 10-coordinate geometry to seven Zn and three equivalent In atoms. There are a spread of Zn–Zn bond distances ranging from 2.50–2.95 Å. There are two shorter (3.11 Å) and one longer (3.18 Å) Zn–In bond lengths. In is bonded in a 2-coordinate geometry to ten Zn atoms.},

  doi          = {10.17188/1719179},

  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/10.17188/1719179

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