Materials Data on In5Bi3 by Materials Project

doi:10.17188/1199301

Title: Materials Data on In5Bi3 by Materials Project

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Abstract

In5Bi3 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent In sites. In the first In site, In is bonded to six Bi atoms to form corner-sharing InBi6 octahedra. The corner-sharing octahedra tilt angles range from 0–44°. There are four shorter (3.21 Å) and two longer (3.37 Å) In–Bi bond lengths. In the second In site, In is bonded in a 5-coordinate geometry to four equivalent In and five Bi atoms. There are a spread of In–In bond distances ranging from 3.35–3.48 Å. There are a spread of In–Bi bond distances ranging from 3.31–3.42 Å. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded in a 10-coordinate geometry to ten In atoms. In the second Bi site, Bi is bonded in a 8-coordinate geometry to eight In atoms.

Authors:: The Materials Project

Publication Date:: Wed Jul 15 00:00:00 EDT 2020

Other Number(s):: mp-23180

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; In5Bi3; Bi-In

OSTI Identifier:: 1199301

DOI:: https://doi.org/10.17188/1199301

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                    The Materials Project. Materials Data on In5Bi3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1199301.

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                    The Materials Project. Materials Data on In5Bi3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1199301

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                    The Materials Project. 2020.  
"Materials Data on In5Bi3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1199301.  https://www.osti.gov/servlets/purl/1199301. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1199301,

  title        = {Materials Data on In5Bi3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {In5Bi3 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent In sites. In the first In site, In is bonded to six Bi atoms to form corner-sharing InBi6 octahedra. The corner-sharing octahedra tilt angles range from 0–44°. There are four shorter (3.21 Å) and two longer (3.37 Å) In–Bi bond lengths. In the second In site, In is bonded in a 5-coordinate geometry to four equivalent In and five Bi atoms. There are a spread of In–In bond distances ranging from 3.35–3.48 Å. There are a spread of In–Bi bond distances ranging from 3.31–3.42 Å. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded in a 10-coordinate geometry to ten In atoms. In the second Bi site, Bi is bonded in a 8-coordinate geometry to eight In atoms.},

  doi          = {10.17188/1199301},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 15 00:00:00 EDT 2020},

  month        = {Wed Jul 15 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1199301

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