Materials Data on La3Ir2 by Materials Project

doi:10.17188/1749802

Title: Materials Data on La3Ir2 by Materials Project

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Abstract

La3Ir2 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. there are three inequivalent La sites. In the first La site, La is bonded in an octahedral geometry to six equivalent Ir atoms. All La–Ir bond lengths are 3.10 Å. In the second La site, La is bonded in a 6-coordinate geometry to six equivalent Ir atoms. There are three shorter (2.95 Å) and three longer (3.17 Å) La–Ir bond lengths. In the third La site, La is bonded in a 5-coordinate geometry to five equivalent Ir atoms. There are a spread of La–Ir bond distances ranging from 2.95–3.37 Å. Ir is bonded in a 8-coordinate geometry to eight La atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1104303

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; La3Ir2; Ir-La

OSTI Identifier:: 1749802

DOI:: https://doi.org/10.17188/1749802

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                    The Materials Project. Materials Data on La3Ir2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1749802.

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                    The Materials Project. Materials Data on La3Ir2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1749802

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                    The Materials Project. 2020.  
"Materials Data on La3Ir2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1749802.  https://www.osti.gov/servlets/purl/1749802. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1749802,

  title        = {Materials Data on La3Ir2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {La3Ir2 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. there are three inequivalent La sites. In the first La site, La is bonded in an octahedral geometry to six equivalent Ir atoms. All La–Ir bond lengths are 3.10 Å. In the second La site, La is bonded in a 6-coordinate geometry to six equivalent Ir atoms. There are three shorter (2.95 Å) and three longer (3.17 Å) La–Ir bond lengths. In the third La site, La is bonded in a 5-coordinate geometry to five equivalent Ir atoms. There are a spread of La–Ir bond distances ranging from 2.95–3.37 Å. Ir is bonded in a 8-coordinate geometry to eight La atoms.},

  doi          = {10.17188/1749802},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1749802

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