Materials Data on In2Pt3 by Materials Project

doi:10.17188/1262927

Title: Materials Data on In2Pt3 by Materials Project

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Abstract

Pt3In2 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Pt2- sites. In the first Pt2- site, Pt2- is bonded in a 5-coordinate geometry to six Pt2- and five In3+ atoms. There are a spread of Pt–Pt bond distances ranging from 2.82–2.98 Å. There are a spread of Pt–In bond distances ranging from 2.77–2.96 Å. In the second Pt2- site, Pt2- is bonded in a 5-coordinate geometry to six equivalent Pt2- and five In3+ atoms. There are a spread of Pt–In bond distances ranging from 2.77–2.96 Å. There are three inequivalent In3+ sites. In the first In3+ site, In3+ is bonded in a 6-coordinate geometry to six Pt2- atoms. In the second In3+ site, In3+ is bonded in a 6-coordinate geometry to six Pt2- atoms. In the third In3+ site, In3+ is bonded in a distorted q6 geometry to nine Pt2- atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-14

Other Number(s):: mp-510439

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; In2Pt3; In-Pt

OSTI Identifier:: 1262927

DOI:: https://doi.org/10.17188/1262927

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                    The Materials Project. Materials Data on In2Pt3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1262927.

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                    The Materials Project. Materials Data on In2Pt3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1262927

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                    The Materials Project. 2020.  
"Materials Data on In2Pt3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1262927.  https://www.osti.gov/servlets/purl/1262927. Pub date:Tue Jul 14 00:00:00 EDT 2020

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@article{osti_1262927,

  title        = {Materials Data on In2Pt3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Pt3In2 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Pt2- sites. In the first Pt2- site, Pt2- is bonded in a 5-coordinate geometry to six Pt2- and five In3+ atoms. There are a spread of Pt–Pt bond distances ranging from 2.82–2.98 Å. There are a spread of Pt–In bond distances ranging from 2.77–2.96 Å. In the second Pt2- site, Pt2- is bonded in a 5-coordinate geometry to six equivalent Pt2- and five In3+ atoms. There are a spread of Pt–In bond distances ranging from 2.77–2.96 Å. There are three inequivalent In3+ sites. In the first In3+ site, In3+ is bonded in a 6-coordinate geometry to six Pt2- atoms. In the second In3+ site, In3+ is bonded in a 6-coordinate geometry to six Pt2- atoms. In the third In3+ site, In3+ is bonded in a distorted q6 geometry to nine Pt2- atoms.},

  doi          = {10.17188/1262927},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1262927

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