Materials Data on LaIr5 by Materials Project

doi:10.17188/1189773

Title: Materials Data on LaIr5 by Materials Project

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Abstract

Ir5La crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. La is bonded in a 6-coordinate geometry to eighteen Ir atoms. There are six shorter (3.11 Å) and twelve longer (3.46 Å) La–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 La and six equivalent Ir atoms. All Ir–Ir bond lengths are 2.67 Å. In the second Ir site, Ir is bonded to four equivalent La and eight Ir atoms to form a mixture of corner, edge, and face-sharing IrLa4Ir8 cuboctahedra. All Ir–Ir bond lengths are 2.70 Å.

Authors:: The Materials Project

Publication Date:: Thu Jul 16 00:00:00 EDT 2020

Other Number(s):: mp-1384

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; LaIr5; Ir-La

OSTI Identifier:: 1189773

DOI:: https://doi.org/10.17188/1189773

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                    The Materials Project. Materials Data on LaIr5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1189773.

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                    The Materials Project. Materials Data on LaIr5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1189773

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                    The Materials Project. 2020.  
"Materials Data on LaIr5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1189773.  https://www.osti.gov/servlets/purl/1189773. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1189773,

  title        = {Materials Data on LaIr5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ir5La crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. La is bonded in a 6-coordinate geometry to eighteen Ir atoms. There are six shorter (3.11 Å) and twelve longer (3.46 Å) La–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 La and six equivalent Ir atoms. All Ir–Ir bond lengths are 2.67 Å. In the second Ir site, Ir is bonded to four equivalent La and eight Ir atoms to form a mixture of corner, edge, and face-sharing IrLa4Ir8 cuboctahedra. All Ir–Ir bond lengths are 2.70 Å.},

  doi          = {10.17188/1189773},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 16 00:00:00 EDT 2020},

  month        = {Thu Jul 16 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1189773

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