Materials Data on Gd5CuBi3 by Materials Project

doi:10.17188/1276901

Title: Materials Data on Gd5CuBi3 by Materials Project

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Abstract

Gd5CuBi3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Gd sites. In the first Gd site, Gd is bonded to two equivalent Cu and five equivalent Bi atoms to form a mixture of distorted edge, face, and corner-sharing GdCu2Bi5 pentagonal bipyramids. Both Gd–Cu bond lengths are 2.90 Å. There are a spread of Gd–Bi bond distances ranging from 3.21–3.49 Å. In the second Gd site, Gd is bonded in a 6-coordinate geometry to six equivalent Bi atoms. All Gd–Bi bond lengths are 3.35 Å. Cu is bonded to six equivalent Gd atoms to form face-sharing CuGd6 octahedra. Bi is bonded in a 9-coordinate geometry to nine Gd atoms.

Authors:: The Materials Project

Publication Date:: Fri Jun 05 00:00:00 EDT 2020

Other Number(s):: mp-581831

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; Gd5CuBi3; Bi-Cu-Gd

OSTI Identifier:: 1276901

DOI:: https://doi.org/10.17188/1276901

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                    The Materials Project. Materials Data on Gd5CuBi3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1276901.

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                    The Materials Project. Materials Data on Gd5CuBi3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1276901

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                    The Materials Project. 2020.  
"Materials Data on Gd5CuBi3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1276901.  https://www.osti.gov/servlets/purl/1276901. Pub date:Fri Jun 05 00:00:00 EDT 2020

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@article{osti_1276901,

  title        = {Materials Data on Gd5CuBi3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Gd5CuBi3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Gd sites. In the first Gd site, Gd is bonded to two equivalent Cu and five equivalent Bi atoms to form a mixture of distorted edge, face, and corner-sharing GdCu2Bi5 pentagonal bipyramids. Both Gd–Cu bond lengths are 2.90 Å. There are a spread of Gd–Bi bond distances ranging from 3.21–3.49 Å. In the second Gd site, Gd is bonded in a 6-coordinate geometry to six equivalent Bi atoms. All Gd–Bi bond lengths are 3.35 Å. Cu is bonded to six equivalent Gd atoms to form face-sharing CuGd6 octahedra. Bi is bonded in a 9-coordinate geometry to nine Gd atoms.},

  doi          = {10.17188/1276901},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Fri Jun 05 00:00:00 EDT 2020},

  month        = {Fri Jun 05 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1276901

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