Materials Data on ThIr5 by Materials Project

doi:10.17188/1205500

Title: Materials Data on ThIr5 by Materials Project

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Abstract

ThIr5 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Th is bonded in a distorted hexagonal planar geometry to eighteen Ir atoms. There are six shorter (3.08 Å) and twelve longer (3.45 Å) Th–Ir bond lengths. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 12-coordinate geometry to three equivalent Th and nine Ir atoms. There are six shorter (2.67 Å) and three longer (3.08 Å) Ir–Ir bond lengths. In the second Ir site, Ir is bonded to four equivalent Th and eight Ir atoms to form a mixture of edge, corner, and face-sharing IrTh4Ir8 cuboctahedra. All Ir–Ir bond lengths are 2.67 Å.

Authors:: The Materials Project

Publication Date:: 2020-07-15

Other Number(s):: mp-312

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; ThIr5; Ir-Th

OSTI Identifier:: 1205500

DOI:: https://doi.org/10.17188/1205500

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                    The Materials Project. Materials Data on ThIr5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1205500.

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                    The Materials Project. Materials Data on ThIr5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1205500

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                    The Materials Project. 2020.  
"Materials Data on ThIr5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1205500.  https://www.osti.gov/servlets/purl/1205500. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1205500,

  title        = {Materials Data on ThIr5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {ThIr5 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Th is bonded in a distorted hexagonal planar geometry to eighteen Ir atoms. There are six shorter (3.08 Å) and twelve longer (3.45 Å) Th–Ir bond lengths. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 12-coordinate geometry to three equivalent Th and nine Ir atoms. There are six shorter (2.67 Å) and three longer (3.08 Å) Ir–Ir bond lengths. In the second Ir site, Ir is bonded to four equivalent Th and eight Ir atoms to form a mixture of edge, corner, and face-sharing IrTh4Ir8 cuboctahedra. All Ir–Ir bond lengths are 2.67 Å.},

  doi          = {10.17188/1205500},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1205500

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