Materials Data on Yb3Ga8Ir3 by Materials Project

doi:10.17188/1753378

Title: Materials Data on Yb3Ga8Ir3 by Materials Project

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Abstract

Yb3Ir3Ga8 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Yb sites. In the first Yb site, Yb is bonded in a 12-coordinate geometry to four equivalent Ir and twelve Ga atoms. All Yb–Ir bond lengths are 3.44 Å. There are four shorter (3.20 Å) and eight longer (3.28 Å) Yb–Ga bond lengths. In the second Yb site, Yb is bonded in a 12-coordinate geometry to four Ir and eight Ga atoms. There are two shorter (3.05 Å) and two longer (3.07 Å) Yb–Ir bond lengths. There are four shorter (3.02 Å) and four longer (3.19 Å) Yb–Ga bond lengths. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 8-coordinate geometry to four equivalent Yb and four equivalent Ga atoms. All Ir–Ga bond lengths are 2.56 Å. In the second Ir site, Ir is bonded in a 12-coordinate geometry to four Yb and six Ga atoms. There are two shorter (2.54 Å) and four longer (2.62 Å) Ir–Ga bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 9-coordinate geometry to three Yb, three Ir, and three equivalent Gamore »« less

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1105061

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; Yb3Ga8Ir3; Ga-Ir-Yb

OSTI Identifier:: 1753378

DOI:: https://doi.org/10.17188/1753378

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                    The Materials Project. Materials Data on Yb3Ga8Ir3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1753378.

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                    The Materials Project. Materials Data on Yb3Ga8Ir3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1753378

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                    The Materials Project. 2020.  
"Materials Data on Yb3Ga8Ir3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1753378.  https://www.osti.gov/servlets/purl/1753378. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1753378,

  title        = {Materials Data on Yb3Ga8Ir3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Yb3Ir3Ga8 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Yb sites. In the first Yb site, Yb is bonded in a 12-coordinate geometry to four equivalent Ir and twelve Ga atoms. All Yb–Ir bond lengths are 3.44 Å. There are four shorter (3.20 Å) and eight longer (3.28 Å) Yb–Ga bond lengths. In the second Yb site, Yb is bonded in a 12-coordinate geometry to four Ir and eight Ga atoms. There are two shorter (3.05 Å) and two longer (3.07 Å) Yb–Ir bond lengths. There are four shorter (3.02 Å) and four longer (3.19 Å) Yb–Ga bond lengths. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 8-coordinate geometry to four equivalent Yb and four equivalent Ga atoms. All Ir–Ga bond lengths are 2.56 Å. In the second Ir site, Ir is bonded in a 12-coordinate geometry to four Yb and six Ga atoms. There are two shorter (2.54 Å) and four longer (2.62 Å) Ir–Ga bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 9-coordinate geometry to three Yb, three Ir, and three equivalent Ga atoms. There are two shorter (2.66 Å) and one longer (2.74 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 1-coordinate geometry to four Yb, one Ir, and three equivalent Ga atoms.},

  doi          = {10.17188/1753378},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1753378

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