Materials Data on Ba2Bi3 by Materials Project

doi:10.17188/1275143

Title: Materials Data on Ba2Bi3 by Materials Project

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Abstract

Ba2Bi3 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Ba is bonded in a 8-coordinate geometry to eight Bi atoms. There are a spread of Ba–Bi bond distances ranging from 3.68–3.81 Å. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded in a 9-coordinate geometry to six equivalent Ba and three Bi atoms. There are one shorter (3.26 Å) and two longer (3.38 Å) Bi–Bi bond lengths. In the second Bi site, Bi is bonded in a 8-coordinate geometry to four equivalent Ba and four equivalent Bi atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-15

Other Number(s):: mp-569529

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; Ba2Bi3; Ba-Bi

OSTI Identifier:: 1275143

DOI:: https://doi.org/10.17188/1275143

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                    The Materials Project. Materials Data on Ba2Bi3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1275143.

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                    The Materials Project. Materials Data on Ba2Bi3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1275143

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                    The Materials Project. 2020.  
"Materials Data on Ba2Bi3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1275143.  https://www.osti.gov/servlets/purl/1275143. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1275143,

  title        = {Materials Data on Ba2Bi3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ba2Bi3 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Ba is bonded in a 8-coordinate geometry to eight Bi atoms. There are a spread of Ba–Bi bond distances ranging from 3.68–3.81 Å. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded in a 9-coordinate geometry to six equivalent Ba and three Bi atoms. There are one shorter (3.26 Å) and two longer (3.38 Å) Bi–Bi bond lengths. In the second Bi site, Bi is bonded in a 8-coordinate geometry to four equivalent Ba and four equivalent Bi atoms.},

  doi          = {10.17188/1275143},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1275143

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