Materials Data on InPb by Materials Project

doi:10.17188/1740572

Title: Materials Data on InPb by Materials Project

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Abstract

PbIn1 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are three inequivalent In sites. In the first In site, In is bonded to six equivalent Pb atoms to form distorted InPb6 cuboctahedra that share corners with six InPb6 cuboctahedra, corners with twelve equivalent PbIn6Pb6 cuboctahedra, edges with twelve InPb6 cuboctahedra, and edges with twelve equivalent PbIn6Pb6 cuboctahedra. All In–Pb bond lengths are 3.49 Å. In the second In site, In is bonded to six Pb atoms to form distorted InPb6 cuboctahedra that share corners with six InPb6 cuboctahedra, corners with fourteen PbIn6Pb6 cuboctahedra, edges with twelve InPb6 cuboctahedra, edges with fourteen PbIn6Pb6 cuboctahedra, and faces with two equivalent PbIn6Pb10 cuboctahedra. All In–Pb bond lengths are 3.49 Å. In the third In site, In is bonded to six Pb atoms to form distorted InPb6 cuboctahedra that share corners with six InPb6 cuboctahedra, corners with fourteen PbIn6Pb6 cuboctahedra, edges with twelve InPb6 cuboctahedra, edges with fourteen PbIn6Pb6 cuboctahedra, and faces with two equivalent PbIn6Pb10 cuboctahedra. All In–Pb bond lengths are 3.49 Å. There are two inequivalent Pb sites. In the first Pb site, Pb is bonded to six In and six equivalent Pb atoms to form distorted PbIn6Pb6more »« less

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1223654

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; InPb; In-Pb

OSTI Identifier:: 1740572

DOI:: https://doi.org/10.17188/1740572

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                    The Materials Project. Materials Data on InPb by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1740572.

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                    The Materials Project. Materials Data on InPb by Materials Project.  United States.  doi:https://doi.org/10.17188/1740572

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                    The Materials Project. 2020.  
"Materials Data on InPb by Materials Project".  United States.  doi:https://doi.org/10.17188/1740572.  https://www.osti.gov/servlets/purl/1740572. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1740572,

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

  author       = {The Materials Project},

  abstractNote = {PbIn1 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are three inequivalent In sites. In the first In site, In is bonded to six equivalent Pb atoms to form distorted InPb6 cuboctahedra that share corners with six InPb6 cuboctahedra, corners with twelve equivalent PbIn6Pb6 cuboctahedra, edges with twelve InPb6 cuboctahedra, and edges with twelve equivalent PbIn6Pb6 cuboctahedra. All In–Pb bond lengths are 3.49 Å. In the second In site, In is bonded to six Pb atoms to form distorted InPb6 cuboctahedra that share corners with six InPb6 cuboctahedra, corners with fourteen PbIn6Pb6 cuboctahedra, edges with twelve InPb6 cuboctahedra, edges with fourteen PbIn6Pb6 cuboctahedra, and faces with two equivalent PbIn6Pb10 cuboctahedra. All In–Pb bond lengths are 3.49 Å. In the third In site, In is bonded to six Pb atoms to form distorted InPb6 cuboctahedra that share corners with six InPb6 cuboctahedra, corners with fourteen PbIn6Pb6 cuboctahedra, edges with twelve InPb6 cuboctahedra, edges with fourteen PbIn6Pb6 cuboctahedra, and faces with two equivalent PbIn6Pb10 cuboctahedra. All In–Pb bond lengths are 3.49 Å. There are two inequivalent Pb sites. In the first Pb site, Pb is bonded to six In and six equivalent Pb atoms to form distorted PbIn6Pb6 cuboctahedra that share corners with twelve InPb6 cuboctahedra, corners with twelve PbIn6Pb6 cuboctahedra, edges with twelve InPb6 cuboctahedra, edges with twelve PbIn6Pb6 cuboctahedra, and faces with six equivalent PbIn6Pb6 cuboctahedra. All Pb–Pb bond lengths are 3.51 Å. In the second Pb site, Pb is bonded to six In and ten equivalent Pb atoms to form distorted PbIn6Pb10 cuboctahedra that share corners with twelve PbIn6Pb6 cuboctahedra, corners with sixteen InPb6 cuboctahedra, edges with sixteen InPb6 cuboctahedra, edges with sixteen PbIn6Pb6 cuboctahedra, faces with four InPb6 cuboctahedra, and faces with sixteen equivalent PbIn6Pb10 cuboctahedra. There are a spread of Pb–Pb bond distances ranging from 3.51–7.02 Å.},

  doi          = {10.17188/1740572},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1740572

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