Materials Data on La5Ga3 by Materials Project

doi:10.17188/1281773

Title: Materials Data on La5Ga3 by Materials Project

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Abstract

La5Ga3 crystallizes in the tetragonal P4/ncc space group. The structure is three-dimensional. there are two inequivalent La sites. In the first La site, La is bonded to five Ga atoms to form distorted corner-sharing LaGa5 square pyramids. There are one shorter (3.18 Å) and four longer (3.27 Å) La–Ga bond lengths. In the second La site, La is bonded in a 5-coordinate geometry to five Ga atoms. There are a spread of La–Ga bond distances ranging from 3.19–3.44 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 9-coordinate geometry to eight La and one Ga atom. The Ga–Ga bond length is 2.68 Å. In the second Ga site, Ga is bonded in a 9-coordinate geometry to nine La atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-672217

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; La5Ga3; Ga-La

OSTI Identifier:: 1281773

DOI:: https://doi.org/10.17188/1281773

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                    The Materials Project. Materials Data on La5Ga3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1281773.

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                    The Materials Project. Materials Data on La5Ga3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1281773

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                    The Materials Project. 2020.  
"Materials Data on La5Ga3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1281773.  https://www.osti.gov/servlets/purl/1281773. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1281773,

  title        = {Materials Data on La5Ga3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {La5Ga3 crystallizes in the tetragonal P4/ncc space group. The structure is three-dimensional. there are two inequivalent La sites. In the first La site, La is bonded to five Ga atoms to form distorted corner-sharing LaGa5 square pyramids. There are one shorter (3.18 Å) and four longer (3.27 Å) La–Ga bond lengths. In the second La site, La is bonded in a 5-coordinate geometry to five Ga atoms. There are a spread of La–Ga bond distances ranging from 3.19–3.44 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 9-coordinate geometry to eight La and one Ga atom. The Ga–Ga bond length is 2.68 Å. In the second Ga site, Ga is bonded in a 9-coordinate geometry to nine La atoms.},

  doi          = {10.17188/1281773},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1281773

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