Materials Data on La5Ir2 by Materials Project

doi:10.17188/1749180

Title: Materials Data on La5Ir2 by Materials Project

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Abstract

La5Ir2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are three inequivalent La sites. In the first La site, La is bonded in a distorted bent 150 degrees geometry to three equivalent Ir atoms. There are a spread of La–Ir bond distances ranging from 2.82–3.73 Å. In the second La site, La is bonded to four equivalent Ir atoms to form distorted edge-sharing LaIr4 tetrahedra. There are two shorter (3.05 Å) and two longer (3.07 Å) La–Ir bond lengths. In the third La site, La is bonded in a 3-coordinate geometry to three equivalent Ir atoms. There are a spread of La–Ir bond distances ranging from 2.92–3.33 Å. Ir is bonded in a 7-coordinate geometry to eight La atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1104396

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; La5Ir2; Ir-La

OSTI Identifier:: 1749180

DOI:: https://doi.org/10.17188/1749180

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                    The Materials Project. Materials Data on La5Ir2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1749180.

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                    The Materials Project. Materials Data on La5Ir2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1749180

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                    The Materials Project. 2020.  
"Materials Data on La5Ir2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1749180.  https://www.osti.gov/servlets/purl/1749180. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1749180,

  title        = {Materials Data on La5Ir2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {La5Ir2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are three inequivalent La sites. In the first La site, La is bonded in a distorted bent 150 degrees geometry to three equivalent Ir atoms. There are a spread of La–Ir bond distances ranging from 2.82–3.73 Å. In the second La site, La is bonded to four equivalent Ir atoms to form distorted edge-sharing LaIr4 tetrahedra. There are two shorter (3.05 Å) and two longer (3.07 Å) La–Ir bond lengths. In the third La site, La is bonded in a 3-coordinate geometry to three equivalent Ir atoms. There are a spread of La–Ir bond distances ranging from 2.92–3.33 Å. Ir is bonded in a 7-coordinate geometry to eight La atoms.},

  doi          = {10.17188/1749180},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1749180

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