Materials Data on In2Bi by Materials Project

doi:10.17188/1199309

Title: Materials Data on In2Bi by Materials Project

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Abstract

In2Bi crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent In sites. In the first In site, In is bonded in a 8-coordinate geometry to two equivalent In and six equivalent Bi atoms. Both In–In bond lengths are 3.34 Å. All In–Bi bond lengths are 3.63 Å. In the second In site, In is bonded to five equivalent Bi atoms to form a mixture of edge and corner-sharing InBi5 trigonal bipyramids. There are three shorter (3.22 Å) and two longer (3.34 Å) In–Bi bond lengths. Bi is bonded to eleven In atoms to form a mixture of distorted face and corner-sharing BiIn11 trigonal bipyramids.

Authors:: The Materials Project

Publication Date:: 2020-07-15

Other Number(s):: mp-23188

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; In2Bi; Bi-In

OSTI Identifier:: 1199309

DOI:: https://doi.org/10.17188/1199309

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                    The Materials Project. Materials Data on In2Bi by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1199309.

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                    The Materials Project. Materials Data on In2Bi by Materials Project.  United States.  doi:https://doi.org/10.17188/1199309

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                    The Materials Project. 2020.  
"Materials Data on In2Bi by Materials Project".  United States.  doi:https://doi.org/10.17188/1199309.  https://www.osti.gov/servlets/purl/1199309. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1199309,

  title        = {Materials Data on In2Bi by Materials Project},

  author       = {The Materials Project},

  abstractNote = {In2Bi crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent In sites. In the first In site, In is bonded in a 8-coordinate geometry to two equivalent In and six equivalent Bi atoms. Both In–In bond lengths are 3.34 Å. All In–Bi bond lengths are 3.63 Å. In the second In site, In is bonded to five equivalent Bi atoms to form a mixture of edge and corner-sharing InBi5 trigonal bipyramids. There are three shorter (3.22 Å) and two longer (3.34 Å) In–Bi bond lengths. Bi is bonded to eleven In atoms to form a mixture of distorted face and corner-sharing BiIn11 trigonal bipyramids.},

  doi          = {10.17188/1199309},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1199309

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