Materials Data on HfSiS by Materials Project

doi:10.17188/1307820

Title: Materials Data on HfSiS by Materials Project

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Abstract

HfSiS is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Hf is bonded in a 9-coordinate geometry to four equivalent Si and five equivalent S atoms. All Hf–Si bond lengths are 2.79 Å. There are four shorter (2.65 Å) and one longer (2.84 Å) Hf–S bond lengths. Si is bonded to four equivalent Hf and four equivalent Si atoms to form a mixture of distorted corner, edge, and face-sharing SiHf4Si4 hexagonal bipyramids. All Si–Si bond lengths are 2.50 Å. S is bonded in a 5-coordinate geometry to five equivalent Hf atoms.

Authors:: The Materials Project

Publication Date:: Thu Jul 16 00:00:00 EDT 2020

Other Number(s):: mp-7916

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; HfSiS; Hf-S-Si

OSTI Identifier:: 1307820

DOI:: https://doi.org/10.17188/1307820

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                    The Materials Project. Materials Data on HfSiS by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1307820.

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                    The Materials Project. Materials Data on HfSiS by Materials Project.  United States.  doi:https://doi.org/10.17188/1307820

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                    The Materials Project. 2020.  
"Materials Data on HfSiS by Materials Project".  United States.  doi:https://doi.org/10.17188/1307820.  https://www.osti.gov/servlets/purl/1307820. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1307820,

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

  author       = {The Materials Project},

  abstractNote = {HfSiS is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Hf is bonded in a 9-coordinate geometry to four equivalent Si and five equivalent S atoms. All Hf–Si bond lengths are 2.79 Å. There are four shorter (2.65 Å) and one longer (2.84 Å) Hf–S bond lengths. Si is bonded to four equivalent Hf and four equivalent Si atoms to form a mixture of distorted corner, edge, and face-sharing SiHf4Si4 hexagonal bipyramids. All Si–Si bond lengths are 2.50 Å. S is bonded in a 5-coordinate geometry to five equivalent Hf atoms.},

  doi          = {10.17188/1307820},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 16 00:00:00 EDT 2020},

  month        = {Thu Jul 16 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1307820

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