Materials Data on Lu3Ga by Materials Project

doi:10.17188/1314070

Title: Materials Data on Lu3Ga by Materials Project

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Abstract

Lu3Ga is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Lu is bonded to eight equivalent Lu and four equivalent Ga atoms to form distorted LuLu8Ga4 cuboctahedra that share corners with four equivalent GaLu12 cuboctahedra, corners with fourteen equivalent LuLu8Ga4 cuboctahedra, edges with six equivalent GaLu12 cuboctahedra, edges with twelve equivalent LuLu8Ga4 cuboctahedra, faces with four equivalent GaLu12 cuboctahedra, and faces with sixteen equivalent LuLu8Ga4 cuboctahedra. There are a spread of Lu–Lu bond distances ranging from 3.20–3.41 Å. There are two shorter (3.20 Å) and two longer (3.30 Å) Lu–Ga bond lengths. Ga is bonded to twelve equivalent Lu atoms to form GaLu12 cuboctahedra that share corners with six equivalent GaLu12 cuboctahedra, corners with twelve equivalent LuLu8Ga4 cuboctahedra, edges with eighteen equivalent LuLu8Ga4 cuboctahedra, faces with eight equivalent GaLu12 cuboctahedra, and faces with twelve equivalent LuLu8Ga4 cuboctahedra.

Authors:: The Materials Project

Publication Date:: 2020-07-23

Other Number(s):: mp-973300

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; Lu3Ga; Ga-Lu

OSTI Identifier:: 1314070

DOI:: https://doi.org/10.17188/1314070

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                    The Materials Project. Materials Data on Lu3Ga by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1314070.

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                    The Materials Project. Materials Data on Lu3Ga by Materials Project.  United States.  doi:https://doi.org/10.17188/1314070

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                    The Materials Project. 2020.  
"Materials Data on Lu3Ga by Materials Project".  United States.  doi:https://doi.org/10.17188/1314070.  https://www.osti.gov/servlets/purl/1314070. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1314070,

  title        = {Materials Data on Lu3Ga by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Lu3Ga is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Lu is bonded to eight equivalent Lu and four equivalent Ga atoms to form distorted LuLu8Ga4 cuboctahedra that share corners with four equivalent GaLu12 cuboctahedra, corners with fourteen equivalent LuLu8Ga4 cuboctahedra, edges with six equivalent GaLu12 cuboctahedra, edges with twelve equivalent LuLu8Ga4 cuboctahedra, faces with four equivalent GaLu12 cuboctahedra, and faces with sixteen equivalent LuLu8Ga4 cuboctahedra. There are a spread of Lu–Lu bond distances ranging from 3.20–3.41 Å. There are two shorter (3.20 Å) and two longer (3.30 Å) Lu–Ga bond lengths. Ga is bonded to twelve equivalent Lu atoms to form GaLu12 cuboctahedra that share corners with six equivalent GaLu12 cuboctahedra, corners with twelve equivalent LuLu8Ga4 cuboctahedra, edges with eighteen equivalent LuLu8Ga4 cuboctahedra, faces with eight equivalent GaLu12 cuboctahedra, and faces with twelve equivalent LuLu8Ga4 cuboctahedra.},

  doi          = {10.17188/1314070},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1314070

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