Materials Data on HoNi2B2C by Materials Project

doi:10.17188/1281460

Title: Materials Data on HoNi2B2C by Materials Project

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Abstract

HoNi2B2C crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ho3+ is bonded in a square co-planar geometry to four equivalent C2- atoms. All Ho–C bond lengths are 2.50 Å. Ni+2.50+ is bonded to four equivalent B3- atoms to form NiB4 tetrahedra that share corners with four equivalent CHo4B2 octahedra, corners with four equivalent NiB4 tetrahedra, and edges with four equivalent NiB4 tetrahedra. The corner-sharing octahedral tilt angles are 58°. All Ni–B bond lengths are 2.08 Å. B3- is bonded in a distorted single-bond geometry to four equivalent Ni+2.50+ and one C2- atom. The B–C bond length is 1.49 Å. C2- is bonded to four equivalent Ho3+ and two equivalent B3- atoms to form distorted CHo4B2 octahedra that share corners with four equivalent CHo4B2 octahedra, corners with eight equivalent NiB4 tetrahedra, and edges with four equivalent CHo4B2 octahedra. The corner-sharing octahedral tilt angles are 0°.

Authors:: The Materials Project

Publication Date:: 2020-07-14

Other Number(s):: mp-6646

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; HoNi2B2C; B-C-Ho-Ni

OSTI Identifier:: 1281460

DOI:: https://doi.org/10.17188/1281460

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                    The Materials Project. Materials Data on HoNi2B2C by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1281460.

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                    The Materials Project. Materials Data on HoNi2B2C by Materials Project.  United States.  doi:https://doi.org/10.17188/1281460

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                    The Materials Project. 2020.  
"Materials Data on HoNi2B2C by Materials Project".  United States.  doi:https://doi.org/10.17188/1281460.  https://www.osti.gov/servlets/purl/1281460. Pub date:Tue Jul 14 00:00:00 EDT 2020

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@article{osti_1281460,

  title        = {Materials Data on HoNi2B2C by Materials Project},

  author       = {The Materials Project},

  abstractNote = {HoNi2B2C crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ho3+ is bonded in a square co-planar geometry to four equivalent C2- atoms. All Ho–C bond lengths are 2.50 Å. Ni+2.50+ is bonded to four equivalent B3- atoms to form NiB4 tetrahedra that share corners with four equivalent CHo4B2 octahedra, corners with four equivalent NiB4 tetrahedra, and edges with four equivalent NiB4 tetrahedra. The corner-sharing octahedral tilt angles are 58°. All Ni–B bond lengths are 2.08 Å. B3- is bonded in a distorted single-bond geometry to four equivalent Ni+2.50+ and one C2- atom. The B–C bond length is 1.49 Å. C2- is bonded to four equivalent Ho3+ and two equivalent B3- atoms to form distorted CHo4B2 octahedra that share corners with four equivalent CHo4B2 octahedra, corners with eight equivalent NiB4 tetrahedra, and edges with four equivalent CHo4B2 octahedra. The corner-sharing octahedral tilt angles are 0°.},

  doi          = {10.17188/1281460},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1281460

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