Materials Data on Ho4NiB14 by Materials Project

doi:10.17188/1262719

Title: Materials Data on Ho4NiB14 by Materials Project

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Abstract

Ho4NiB14 crystallizes in the tetragonal P4/mnc space group. The structure is three-dimensional. Ho is bonded in a 10-coordinate geometry to one Ni and sixteen B atoms. The Ho–Ni bond length is 2.77 Å. There are a spread of Ho–B bond distances ranging from 2.65–3.00 Å. Ni is bonded in a cuboctahedral geometry to four equivalent Ho and eight equivalent B atoms. All Ni–B bond lengths are 2.16 Å. There are three inequivalent B sites. In the first B site, B is bonded in a 9-coordinate geometry to four equivalent Ho and five B atoms. There is one shorter (1.66 Å) and four longer (1.74 Å) B–B bond length. In the second B site, B is bonded in a 9-coordinate geometry to four equivalent Ho, one Ni, and four B atoms. There is one shorter (1.74 Å) and two longer (1.83 Å) B–B bond length. In the third B site, B is bonded in a 3-coordinate geometry to six equivalent Ho and three B atoms. The B–B bond length is 1.82 Å.

Authors:: The Materials Project

Publication Date:: 2020-07-22

Other Number(s):: mp-505720

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; Ho4NiB14; B-Ho-Ni

OSTI Identifier:: 1262719

DOI:: https://doi.org/10.17188/1262719

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                    The Materials Project. Materials Data on Ho4NiB14 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1262719.

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                    The Materials Project. Materials Data on Ho4NiB14 by Materials Project.  United States.  doi:https://doi.org/10.17188/1262719

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                    The Materials Project. 2020.  
"Materials Data on Ho4NiB14 by Materials Project".  United States.  doi:https://doi.org/10.17188/1262719.  https://www.osti.gov/servlets/purl/1262719. Pub date:Wed Jul 22 00:00:00 EDT 2020

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@article{osti_1262719,

  title        = {Materials Data on Ho4NiB14 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ho4NiB14 crystallizes in the tetragonal P4/mnc space group. The structure is three-dimensional. Ho is bonded in a 10-coordinate geometry to one Ni and sixteen B atoms. The Ho–Ni bond length is 2.77 Å. There are a spread of Ho–B bond distances ranging from 2.65–3.00 Å. Ni is bonded in a cuboctahedral geometry to four equivalent Ho and eight equivalent B atoms. All Ni–B bond lengths are 2.16 Å. There are three inequivalent B sites. In the first B site, B is bonded in a 9-coordinate geometry to four equivalent Ho and five B atoms. There is one shorter (1.66 Å) and four longer (1.74 Å) B–B bond length. In the second B site, B is bonded in a 9-coordinate geometry to four equivalent Ho, one Ni, and four B atoms. There is one shorter (1.74 Å) and two longer (1.83 Å) B–B bond length. In the third B site, B is bonded in a 3-coordinate geometry to six equivalent Ho and three B atoms. The B–B bond length is 1.82 Å.},

  doi          = {10.17188/1262719},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1262719

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