Materials Data on Gd3Cd by Materials Project

doi:10.17188/1677923

Title: Materials Data on Gd3Cd by Materials Project

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Abstract

Gd3Cd is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Gd is bonded to eight equivalent Gd and four equivalent Cd atoms to form distorted GdGd8Cd4 cuboctahedra that share corners with four equivalent CdGd12 cuboctahedra, corners with fourteen equivalent GdGd8Cd4 cuboctahedra, edges with six equivalent CdGd12 cuboctahedra, edges with twelve equivalent GdGd8Cd4 cuboctahedra, faces with four equivalent CdGd12 cuboctahedra, and faces with sixteen equivalent GdGd8Cd4 cuboctahedra. There are a spread of Gd–Gd bond distances ranging from 3.38–3.62 Å. There are two shorter (3.39 Å) and two longer (3.50 Å) Gd–Cd bond lengths. Cd is bonded to twelve equivalent Gd atoms to form CdGd12 cuboctahedra that share corners with six equivalent CdGd12 cuboctahedra, corners with twelve equivalent GdGd8Cd4 cuboctahedra, edges with eighteen equivalent GdGd8Cd4 cuboctahedra, faces with eight equivalent CdGd12 cuboctahedra, and faces with twelve equivalent GdGd8Cd4 cuboctahedra.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1184421

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; Gd3Cd; Cd-Gd

OSTI Identifier:: 1677923

DOI:: https://doi.org/10.17188/1677923

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                    The Materials Project. Materials Data on Gd3Cd by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1677923.

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                    The Materials Project. Materials Data on Gd3Cd by Materials Project.  United States.  doi:https://doi.org/10.17188/1677923

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                    The Materials Project. 2020.  
"Materials Data on Gd3Cd by Materials Project".  United States.  doi:https://doi.org/10.17188/1677923.  https://www.osti.gov/servlets/purl/1677923. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1677923,

  title        = {Materials Data on Gd3Cd by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Gd3Cd is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Gd is bonded to eight equivalent Gd and four equivalent Cd atoms to form distorted GdGd8Cd4 cuboctahedra that share corners with four equivalent CdGd12 cuboctahedra, corners with fourteen equivalent GdGd8Cd4 cuboctahedra, edges with six equivalent CdGd12 cuboctahedra, edges with twelve equivalent GdGd8Cd4 cuboctahedra, faces with four equivalent CdGd12 cuboctahedra, and faces with sixteen equivalent GdGd8Cd4 cuboctahedra. There are a spread of Gd–Gd bond distances ranging from 3.38–3.62 Å. There are two shorter (3.39 Å) and two longer (3.50 Å) Gd–Cd bond lengths. Cd is bonded to twelve equivalent Gd atoms to form CdGd12 cuboctahedra that share corners with six equivalent CdGd12 cuboctahedra, corners with twelve equivalent GdGd8Cd4 cuboctahedra, edges with eighteen equivalent GdGd8Cd4 cuboctahedra, faces with eight equivalent CdGd12 cuboctahedra, and faces with twelve equivalent GdGd8Cd4 cuboctahedra.},

  doi          = {10.17188/1677923},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1677923

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