Materials Data on Ho4InIr by Materials Project

doi:10.17188/1272980

Title: Materials Data on Ho4InIr by Materials Project

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Abstract

Ho4IrIn crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are three inequivalent Ho sites. In the first Ho site, Ho is bonded in a 4-coordinate geometry to two equivalent Ir and two equivalent In atoms. Both Ho–Ir bond lengths are 3.45 Å. Both Ho–In bond lengths are 3.23 Å. In the second Ho site, Ho is bonded in a 3-coordinate geometry to three equivalent Ir and three equivalent In atoms. All Ho–Ir bond lengths are 2.84 Å. All Ho–In bond lengths are 3.45 Å. In the third Ho site, Ho is bonded in a distorted bent 150 degrees geometry to two equivalent Ir and two equivalent In atoms. Both Ho–Ir bond lengths are 2.80 Å. Both Ho–In bond lengths are 3.47 Å. Ir is bonded in a 6-coordinate geometry to nine Ho atoms. In is bonded in a 12-coordinate geometry to nine Ho and three equivalent In atoms. All In–In bond lengths are 3.20 Å.

Authors:: The Materials Project

Publication Date:: Mon Jul 20 00:00:00 EDT 2020

Other Number(s):: mp-567479

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; Ho4InIr; Ho-In-Ir

OSTI Identifier:: 1272980

DOI:: https://doi.org/10.17188/1272980

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                    The Materials Project. Materials Data on Ho4InIr by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1272980.

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                    The Materials Project. Materials Data on Ho4InIr by Materials Project.  United States.  doi:https://doi.org/10.17188/1272980

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                    The Materials Project. 2020.  
"Materials Data on Ho4InIr by Materials Project".  United States.  doi:https://doi.org/10.17188/1272980.  https://www.osti.gov/servlets/purl/1272980. Pub date:Mon Jul 20 00:00:00 EDT 2020

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@article{osti_1272980,

  title        = {Materials Data on Ho4InIr by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ho4IrIn crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are three inequivalent Ho sites. In the first Ho site, Ho is bonded in a 4-coordinate geometry to two equivalent Ir and two equivalent In atoms. Both Ho–Ir bond lengths are 3.45 Å. Both Ho–In bond lengths are 3.23 Å. In the second Ho site, Ho is bonded in a 3-coordinate geometry to three equivalent Ir and three equivalent In atoms. All Ho–Ir bond lengths are 2.84 Å. All Ho–In bond lengths are 3.45 Å. In the third Ho site, Ho is bonded in a distorted bent 150 degrees geometry to two equivalent Ir and two equivalent In atoms. Both Ho–Ir bond lengths are 2.80 Å. Both Ho–In bond lengths are 3.47 Å. Ir is bonded in a 6-coordinate geometry to nine Ho atoms. In is bonded in a 12-coordinate geometry to nine Ho and three equivalent In atoms. All In–In bond lengths are 3.20 Å.},

  doi          = {10.17188/1272980},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Mon Jul 20 00:00:00 EDT 2020},

  month        = {Mon Jul 20 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1272980

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