Materials Data on Ga5Ir3 by Materials Project

doi:10.17188/1687986

Title: Materials Data on Ga5Ir3 by Materials Project

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Abstract

Ir3Ga5 crystallizes in the tetragonal P-4n2 space group. The structure is three-dimensional. there are four inequivalent Ir sites. In the first Ir site, Ir is bonded in a 8-coordinate geometry to eight Ga atoms. There are a spread of Ir–Ga bond distances ranging from 2.46–2.96 Å. In the second Ir site, Ir is bonded in a 8-coordinate geometry to eight Ga atoms. There are a spread of Ir–Ga bond distances ranging from 2.50–2.76 Å. In the third Ir site, Ir is bonded in a 6-coordinate geometry to six Ga atoms. There are four shorter (2.46 Å) and two longer (2.74 Å) Ir–Ga bond lengths. In the fourth Ir site, Ir is bonded in a 8-coordinate geometry to eight Ga atoms. There are four shorter (2.57 Å) and four longer (2.64 Å) Ir–Ga bond lengths. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a 4-coordinate geometry to four Ir atoms. In the second Ga site, Ga is bonded in a 2-coordinate geometry to five Ir atoms. In the third Ga site, Ga is bonded in a 2-coordinate geometry to five Ir atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-01

Other Number(s):: mp-1212680

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; Ga5Ir3; Ga-Ir

OSTI Identifier:: 1687986

DOI:: https://doi.org/10.17188/1687986

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                    The Materials Project. Materials Data on Ga5Ir3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1687986.

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                    The Materials Project. Materials Data on Ga5Ir3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1687986

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                    The Materials Project. 2020.  
"Materials Data on Ga5Ir3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1687986.  https://www.osti.gov/servlets/purl/1687986. Pub date:Fri May 01 00:00:00 EDT 2020

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@article{osti_1687986,

  title        = {Materials Data on Ga5Ir3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ir3Ga5 crystallizes in the tetragonal P-4n2 space group. The structure is three-dimensional. there are four inequivalent Ir sites. In the first Ir site, Ir is bonded in a 8-coordinate geometry to eight Ga atoms. There are a spread of Ir–Ga bond distances ranging from 2.46–2.96 Å. In the second Ir site, Ir is bonded in a 8-coordinate geometry to eight Ga atoms. There are a spread of Ir–Ga bond distances ranging from 2.50–2.76 Å. In the third Ir site, Ir is bonded in a 6-coordinate geometry to six Ga atoms. There are four shorter (2.46 Å) and two longer (2.74 Å) Ir–Ga bond lengths. In the fourth Ir site, Ir is bonded in a 8-coordinate geometry to eight Ga atoms. There are four shorter (2.57 Å) and four longer (2.64 Å) Ir–Ga bond lengths. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a 4-coordinate geometry to four Ir atoms. In the second Ga site, Ga is bonded in a 2-coordinate geometry to five Ir atoms. In the third Ga site, Ga is bonded in a 2-coordinate geometry to five Ir atoms.},

  doi          = {10.17188/1687986},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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