Materials Data on HfSO by Materials Project

doi:10.17188/1305705

Title: Materials Data on HfSO by Materials Project

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Abstract

HfSO crystallizes in the cubic P2_13 space group. The structure is three-dimensional. Hf4+ is bonded in a 3-coordinate geometry to four equivalent S2- and three equivalent O2- atoms. There are one shorter (2.57 Å) and three longer (2.72 Å) Hf–S bond lengths. All Hf–O bond lengths are 2.08 Å. S2- is bonded in a 4-coordinate geometry to four equivalent Hf4+ and seven equivalent O2- atoms. There are a spread of S–O bond distances ranging from 2.95–3.20 Å. O2- is bonded in a trigonal planar geometry to three equivalent Hf4+ and seven equivalent S2- atoms.

Authors:: The Materials Project

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

Other Number(s):: mp-7787

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; HfSO; Hf-O-S

OSTI Identifier:: 1305705

DOI:: https://doi.org/10.17188/1305705

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                    The Materials Project. Materials Data on HfSO by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1305705.

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                    The Materials Project. Materials Data on HfSO by Materials Project.  United States.  doi:https://doi.org/10.17188/1305705

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                    The Materials Project. 2020.  
"Materials Data on HfSO by Materials Project".  United States.  doi:https://doi.org/10.17188/1305705.  https://www.osti.gov/servlets/purl/1305705. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1305705,

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

  author       = {The Materials Project},

  abstractNote = {HfSO crystallizes in the cubic P2_13 space group. The structure is three-dimensional. Hf4+ is bonded in a 3-coordinate geometry to four equivalent S2- and three equivalent O2- atoms. There are one shorter (2.57 Å) and three longer (2.72 Å) Hf–S bond lengths. All Hf–O bond lengths are 2.08 Å. S2- is bonded in a 4-coordinate geometry to four equivalent Hf4+ and seven equivalent O2- atoms. There are a spread of S–O bond distances ranging from 2.95–3.20 Å. O2- is bonded in a trigonal planar geometry to three equivalent Hf4+ and seven equivalent S2- atoms.},

  doi          = {10.17188/1305705},

  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/10.17188/1305705

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