Materials Data on HfScSi2 by Materials Project

doi:10.17188/1663852

Title: Materials Data on HfScSi2 by Materials Project

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Abstract

ScHfSi2 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Sc is bonded in a 5-coordinate geometry to seven Si atoms. There are a spread of Sc–Si bond distances ranging from 2.71–2.93 Å. Hf is bonded in a 5-coordinate geometry to seven Si atoms. There are a spread of Hf–Si bond distances ranging from 2.73–2.91 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to four equivalent Sc, three equivalent Hf, and two equivalent Si atoms. Both Si–Si bond lengths are 2.46 Å. In the second Si site, Si is bonded in a 9-coordinate geometry to three equivalent Sc, four equivalent Hf, and two equivalent Si atoms.

Authors:: The Materials Project

Publication Date:: Thu Jul 23 00:00:00 EDT 2020

Other Number(s):: mp-1224306

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; HfScSi2; Hf-Sc-Si

OSTI Identifier:: 1663852

DOI:: https://doi.org/10.17188/1663852

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                    The Materials Project. Materials Data on HfScSi2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1663852.

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                    The Materials Project. Materials Data on HfScSi2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1663852

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                    The Materials Project. 2020.  
"Materials Data on HfScSi2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1663852.  https://www.osti.gov/servlets/purl/1663852. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1663852,

  title        = {Materials Data on HfScSi2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {ScHfSi2 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Sc is bonded in a 5-coordinate geometry to seven Si atoms. There are a spread of Sc–Si bond distances ranging from 2.71–2.93 Å. Hf is bonded in a 5-coordinate geometry to seven Si atoms. There are a spread of Hf–Si bond distances ranging from 2.73–2.91 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to four equivalent Sc, three equivalent Hf, and two equivalent Si atoms. Both Si–Si bond lengths are 2.46 Å. In the second Si site, Si is bonded in a 9-coordinate geometry to three equivalent Sc, four equivalent Hf, and two equivalent Si atoms.},

  doi          = {10.17188/1663852},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 23 00:00:00 EDT 2020},

  month        = {Thu Jul 23 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1663852

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