Materials Data on ScSi2Rh by Materials Project

doi:10.17188/1197541

Title: Materials Data on ScSi2Rh by Materials Project

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Abstract

ScRhSi2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sc is bonded in a 12-coordinate geometry to five equivalent Rh and seven Si atoms. There are a spread of Sc–Rh bond distances ranging from 2.87–3.12 Å. There are a spread of Sc–Si bond distances ranging from 2.77–2.86 Å. Rh is bonded in a 12-coordinate geometry to five equivalent Sc and five Si atoms. There are a spread of Rh–Si bond distances ranging from 2.43–2.55 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 2-coordinate geometry to four equivalent Sc, two equivalent Rh, and three equivalent Si atoms. There are one shorter (2.49 Å) and two longer (2.65 Å) Si–Si bond lengths. In the second Si site, Si is bonded in a 9-coordinate geometry to three equivalent Sc, three equivalent Rh, and three equivalent Si atoms.

Authors:: The Materials Project

Publication Date:: Fri Jul 17 00:00:00 EDT 2020

Other Number(s):: mp-22307

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; ScSi2Rh; Rh-Sc-Si

OSTI Identifier:: 1197541

DOI:: https://doi.org/10.17188/1197541

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                    The Materials Project. Materials Data on ScSi2Rh by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1197541.

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                    The Materials Project. Materials Data on ScSi2Rh by Materials Project.  United States.  doi:https://doi.org/10.17188/1197541

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                    The Materials Project. 2020.  
"Materials Data on ScSi2Rh by Materials Project".  United States.  doi:https://doi.org/10.17188/1197541.  https://www.osti.gov/servlets/purl/1197541. Pub date:Fri Jul 17 00:00:00 EDT 2020

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@article{osti_1197541,

  title        = {Materials Data on ScSi2Rh by Materials Project},

  author       = {The Materials Project},

  abstractNote = {ScRhSi2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sc is bonded in a 12-coordinate geometry to five equivalent Rh and seven Si atoms. There are a spread of Sc–Rh bond distances ranging from 2.87–3.12 Å. There are a spread of Sc–Si bond distances ranging from 2.77–2.86 Å. Rh is bonded in a 12-coordinate geometry to five equivalent Sc and five Si atoms. There are a spread of Rh–Si bond distances ranging from 2.43–2.55 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 2-coordinate geometry to four equivalent Sc, two equivalent Rh, and three equivalent Si atoms. There are one shorter (2.49 Å) and two longer (2.65 Å) Si–Si bond lengths. In the second Si site, Si is bonded in a 9-coordinate geometry to three equivalent Sc, three equivalent Rh, and three equivalent Si atoms.},

  doi          = {10.17188/1197541},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Fri Jul 17 00:00:00 EDT 2020},

  month        = {Fri Jul 17 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1197541

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