Materials Data on In2Au3 by Materials Project

doi:10.17188/1349824

Title: Materials Data on In2Au3 by Materials Project

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Abstract

Au3In2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. there are two inequivalent Au1- sites. In the first Au1- site, Au1- is bonded in a 8-coordinate geometry to three equivalent Au1- and five equivalent In+1.50+ atoms. All Au–Au bond lengths are 2.92 Å. There are a spread of Au–In bond distances ranging from 2.82–2.94 Å. In the second Au1- site, Au1- is bonded to six equivalent Au1- and six equivalent In+1.50+ atoms to form face-sharing AuIn6Au6 cuboctahedra. All Au–In bond lengths are 3.31 Å. In+1.50+ is bonded in a 5-coordinate geometry to eight Au1- atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-17

Other Number(s):: mp-1017579

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; In2Au3; Au-In

OSTI Identifier:: 1349824

DOI:: https://doi.org/10.17188/1349824

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                    The Materials Project. Materials Data on In2Au3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1349824.

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                    The Materials Project. Materials Data on In2Au3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1349824

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                    The Materials Project. 2020.  
"Materials Data on In2Au3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1349824.  https://www.osti.gov/servlets/purl/1349824. Pub date:Fri Jul 17 00:00:00 EDT 2020

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@article{osti_1349824,

  title        = {Materials Data on In2Au3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Au3In2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. there are two inequivalent Au1- sites. In the first Au1- site, Au1- is bonded in a 8-coordinate geometry to three equivalent Au1- and five equivalent In+1.50+ atoms. All Au–Au bond lengths are 2.92 Å. There are a spread of Au–In bond distances ranging from 2.82–2.94 Å. In the second Au1- site, Au1- is bonded to six equivalent Au1- and six equivalent In+1.50+ atoms to form face-sharing AuIn6Au6 cuboctahedra. All Au–In bond lengths are 3.31 Å. In+1.50+ is bonded in a 5-coordinate geometry to eight Au1- atoms.},

  doi          = {10.17188/1349824},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1349824

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