Materials Data on La3ScBi5 by Materials Project

doi:10.17188/1275085

Title: Materials Data on La3ScBi5 by Materials Project

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Abstract

La3ScBi5 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. La is bonded in a 9-coordinate geometry to nine Bi atoms. There are a spread of La–Bi bond distances ranging from 3.33–3.53 Å. Sc is bonded to six equivalent Bi atoms to form face-sharing ScBi6 octahedra. All Sc–Bi bond lengths are 3.05 Å. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded to five equivalent La and two equivalent Sc atoms to form a mixture of distorted edge, corner, and face-sharing BiLa5Sc2 pentagonal bipyramids. In the second Bi site, Bi is bonded in a 8-coordinate geometry to six equivalent La and two equivalent Bi atoms. Both Bi–Bi bond lengths are 3.31 Å.

Authors:: The Materials Project

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

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)

Contributing Org.:: MIT; UC Berkeley; Duke; U Louvain

OSTI Identifier:: 1275085

Report Number(s):: mp-569411

DOE Contract Number:: AC02-05CH11231; EDCBEE

Resource Type:: Data

Resource Relation:: Related Information: https://materialsproject.org/citing

Country of Publication:: United States

Language:: English

Subject:: 36 MATERIALS SCIENCE; crystal structure; La3ScBi5; Bi-La-Sc

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                    The Materials Project. Materials Data on La3ScBi5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1275085.

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                    The Materials Project. Materials Data on La3ScBi5 by Materials Project.  United States.  https://doi.org/10.17188/1275085

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                    The Materials Project. 2020.  
        "Materials Data on La3ScBi5 by Materials Project".  United States.  https://doi.org/10.17188/1275085.  https://www.osti.gov/servlets/purl/1275085.

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@article{osti_1275085,

  title        = {Materials Data on La3ScBi5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {La3ScBi5 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. La is bonded in a 9-coordinate geometry to nine Bi atoms. There are a spread of La–Bi bond distances ranging from 3.33–3.53 Å. Sc is bonded to six equivalent Bi atoms to form face-sharing ScBi6 octahedra. All Sc–Bi bond lengths are 3.05 Å. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded to five equivalent La and two equivalent Sc atoms to form a mixture of distorted edge, corner, and face-sharing BiLa5Sc2 pentagonal bipyramids. In the second Bi site, Bi is bonded in a 8-coordinate geometry to six equivalent La and two equivalent Bi atoms. Both Bi–Bi bond lengths are 3.31 Å.},

  doi          = {10.17188/1275085},

  url          = {https://www.osti.gov/biblio/1275085},
  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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