Materials Data on HoRe2SiC by Materials Project

doi:10.17188/1683935

Title: Materials Data on HoRe2SiC by Materials Project

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Abstract

HoRe2SiC crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ho is bonded in a 4-coordinate geometry to three equivalent Si and four equivalent C atoms. There are one shorter (3.03 Å) and two longer (3.12 Å) Ho–Si bond lengths. All Ho–C bond lengths are 2.73 Å. Re is bonded in a single-bond geometry to three equivalent Si and one C atom. There are one shorter (2.48 Å) and two longer (2.49 Å) Re–Si bond lengths. The Re–C bond length is 1.95 Å. Si is bonded in a 9-coordinate geometry to three equivalent Ho and six equivalent Re atoms. C is bonded to four equivalent Ho and two equivalent Re atoms to form a mixture of edge and corner-sharing CHo4Re2 octahedra. The corner-sharing octahedral tilt angles are 20°.

Authors:: The Materials Project

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

Other Number(s):: mp-1205545

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; HoRe2SiC; C-Ho-Re-Si

OSTI Identifier:: 1683935

DOI:: https://doi.org/10.17188/1683935

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                    The Materials Project. Materials Data on HoRe2SiC by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1683935.

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                    The Materials Project. Materials Data on HoRe2SiC by Materials Project.  United States.  doi:https://doi.org/10.17188/1683935

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                    The Materials Project. 2020.  
"Materials Data on HoRe2SiC by Materials Project".  United States.  doi:https://doi.org/10.17188/1683935.  https://www.osti.gov/servlets/purl/1683935. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1683935,

  title        = {Materials Data on HoRe2SiC by Materials Project},

  author       = {The Materials Project},

  abstractNote = {HoRe2SiC crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ho is bonded in a 4-coordinate geometry to three equivalent Si and four equivalent C atoms. There are one shorter (3.03 Å) and two longer (3.12 Å) Ho–Si bond lengths. All Ho–C bond lengths are 2.73 Å. Re is bonded in a single-bond geometry to three equivalent Si and one C atom. There are one shorter (2.48 Å) and two longer (2.49 Å) Re–Si bond lengths. The Re–C bond length is 1.95 Å. Si is bonded in a 9-coordinate geometry to three equivalent Ho and six equivalent Re atoms. C is bonded to four equivalent Ho and two equivalent Re atoms to form a mixture of edge and corner-sharing CHo4Re2 octahedra. The corner-sharing octahedral tilt angles are 20°.},

  doi          = {10.17188/1683935},

  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/10.17188/1683935

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