Materials Data on Ho4MgNi by Materials Project

doi:10.17188/1718735

Title: Materials Data on Ho4MgNi by Materials Project

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Abstract

Ho4NiMg crystallizes in the cubic F-43m space group. The structure is three-dimensional. Mg is bonded to three equivalent Mg and nine Ho atoms to form a mixture of corner and face-sharing MgHo9Mg3 cuboctahedra. All Mg–Mg bond lengths are 3.07 Å. There are a spread of Mg–Ho bond distances ranging from 3.26–3.50 Å. There are three inequivalent Ho sites. In the first Ho site, Ho is bonded in a 3-coordinate geometry to three equivalent Mg, three equivalent Ho, and three equivalent Ni atoms. All Ho–Ho bond lengths are 3.48 Å. All Ho–Ni bond lengths are 2.78 Å. In the second Ho site, Ho is bonded in a bent 150 degrees geometry to two equivalent Mg, four equivalent Ho, and two equivalent Ni atoms. All Ho–Ho bond lengths are 3.60 Å. Both Ho–Ni bond lengths are 2.79 Å. In the third Ho site, Ho is bonded in a 4-coordinate geometry to two equivalent Mg, ten Ho, and two equivalent Ni atoms. All Ho–Ho bond lengths are 3.55 Å. Both Ho–Ni bond lengths are 3.48 Å. Ni is bonded in a 6-coordinate geometry to nine Ho atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1212308

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; Ho4MgNi; Ho-Mg-Ni

OSTI Identifier:: 1718735

DOI:: https://doi.org/10.17188/1718735

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                    The Materials Project. Materials Data on Ho4MgNi by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1718735.

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                    The Materials Project. Materials Data on Ho4MgNi by Materials Project.  United States.  doi:https://doi.org/10.17188/1718735

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                    The Materials Project. 2020.  
"Materials Data on Ho4MgNi by Materials Project".  United States.  doi:https://doi.org/10.17188/1718735.  https://www.osti.gov/servlets/purl/1718735. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1718735,

  title        = {Materials Data on Ho4MgNi by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ho4NiMg crystallizes in the cubic F-43m space group. The structure is three-dimensional. Mg is bonded to three equivalent Mg and nine Ho atoms to form a mixture of corner and face-sharing MgHo9Mg3 cuboctahedra. All Mg–Mg bond lengths are 3.07 Å. There are a spread of Mg–Ho bond distances ranging from 3.26–3.50 Å. There are three inequivalent Ho sites. In the first Ho site, Ho is bonded in a 3-coordinate geometry to three equivalent Mg, three equivalent Ho, and three equivalent Ni atoms. All Ho–Ho bond lengths are 3.48 Å. All Ho–Ni bond lengths are 2.78 Å. In the second Ho site, Ho is bonded in a bent 150 degrees geometry to two equivalent Mg, four equivalent Ho, and two equivalent Ni atoms. All Ho–Ho bond lengths are 3.60 Å. Both Ho–Ni bond lengths are 2.79 Å. In the third Ho site, Ho is bonded in a 4-coordinate geometry to two equivalent Mg, ten Ho, and two equivalent Ni atoms. All Ho–Ho bond lengths are 3.55 Å. Both Ho–Ni bond lengths are 3.48 Å. Ni is bonded in a 6-coordinate geometry to nine Ho atoms.},

  doi          = {10.17188/1718735},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1718735

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