Materials Data on Hf2HC by Materials Project

doi:10.17188/1710892

Title: Materials Data on Hf2HC by Materials Project

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Abstract

Hf2CH is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Hf is bonded to three equivalent C and three equivalent H atoms to form a mixture of edge and corner-sharing HfH3C3 octahedra. The corner-sharing octahedral tilt angles are 0°. All Hf–C bond lengths are 2.26 Å. All Hf–H bond lengths are 2.36 Å. C is bonded to six equivalent Hf atoms to form CHf6 octahedra that share corners with six equivalent HHf6 octahedra, edges with six equivalent CHf6 octahedra, and edges with six equivalent HHf6 octahedra. The corner-sharing octahedral tilt angles are 4°. H is bonded to six equivalent Hf atoms to form HHf6 octahedra that share corners with six equivalent CHf6 octahedra, edges with six equivalent CHf6 octahedra, and edges with six equivalent HHf6 octahedra. The corner-sharing octahedral tilt angles are 4°.

Authors:: The Materials Project

Publication Date:: Sat May 02 00:00:00 EDT 2020

Other Number(s):: mp-1224333

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; Hf2HC; C-H-Hf

OSTI Identifier:: 1710892

DOI:: https://doi.org/10.17188/1710892

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                    The Materials Project. Materials Data on Hf2HC by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1710892.

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                    The Materials Project. Materials Data on Hf2HC by Materials Project.  United States.  doi:https://doi.org/10.17188/1710892

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                    The Materials Project. 2020.  
"Materials Data on Hf2HC by Materials Project".  United States.  doi:https://doi.org/10.17188/1710892.  https://www.osti.gov/servlets/purl/1710892. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1710892,

  title        = {Materials Data on Hf2HC by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Hf2CH is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Hf is bonded to three equivalent C and three equivalent H atoms to form a mixture of edge and corner-sharing HfH3C3 octahedra. The corner-sharing octahedral tilt angles are 0°. All Hf–C bond lengths are 2.26 Å. All Hf–H bond lengths are 2.36 Å. C is bonded to six equivalent Hf atoms to form CHf6 octahedra that share corners with six equivalent HHf6 octahedra, edges with six equivalent CHf6 octahedra, and edges with six equivalent HHf6 octahedra. The corner-sharing octahedral tilt angles are 4°. H is bonded to six equivalent Hf atoms to form HHf6 octahedra that share corners with six equivalent CHf6 octahedra, edges with six equivalent CHf6 octahedra, and edges with six equivalent HHf6 octahedra. The corner-sharing octahedral tilt angles are 4°.},

  doi          = {10.17188/1710892},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 02 00:00:00 EDT 2020},

  month        = {Sat May 02 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1710892

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