Materials Data on Sc57Rh13 by Materials Project

doi:10.17188/1205218

Title: Materials Data on Sc57Rh13 by Materials Project

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Abstract

Sc57Rh13 crystallizes in the cubic Pm-3 space group. The structure is three-dimensional. there are nine inequivalent Sc sites. In the first Sc site, Sc is bonded in a bent 150 degrees geometry to two equivalent Rh atoms. Both Sc–Rh bond lengths are 2.98 Å. In the second Sc site, Sc is bonded in a 2-coordinate geometry to three Rh atoms. There are a spread of Sc–Rh bond distances ranging from 2.95–3.44 Å. In the third Sc site, Sc is bonded in a 2-coordinate geometry to two equivalent Rh atoms. Both Sc–Rh bond lengths are 2.63 Å. In the fourth Sc site, Sc is bonded in a distorted trigonal planar geometry to three Rh atoms. There are one shorter (2.84 Å) and two longer (2.86 Å) Sc–Rh bond lengths. In the fifth Sc site, Sc is bonded in a distorted linear geometry to two equivalent Rh atoms. Both Sc–Rh bond lengths are 2.93 Å. In the sixth Sc site, Sc is bonded in a single-bond geometry to three Rh atoms. There are one shorter (2.55 Å) and two longer (3.37 Å) Sc–Rh bond lengths. In the seventh Sc site, Sc is bonded in a distorted linear geometry to two Rh atoms.more »« less

Authors:: The Materials Project

Publication Date:: Thu May 11 00:00:00 EDT 2017

Other Number(s):: mp-30863

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; Sc57Rh13; Rh-Sc

OSTI Identifier:: 1205218

DOI:: https://doi.org/10.17188/1205218

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                    The Materials Project. Materials Data on Sc57Rh13 by Materials Project.  United States: N. p., 2017. 
        Web.  doi:10.17188/1205218.

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                    The Materials Project. Materials Data on Sc57Rh13 by Materials Project.  United States.  doi:https://doi.org/10.17188/1205218

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                    The Materials Project. 2017.  
"Materials Data on Sc57Rh13 by Materials Project".  United States.  doi:https://doi.org/10.17188/1205218.  https://www.osti.gov/servlets/purl/1205218. Pub date:Thu May 11 00:00:00 EDT 2017

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@article{osti_1205218,

  title        = {Materials Data on Sc57Rh13 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Sc57Rh13 crystallizes in the cubic Pm-3 space group. The structure is three-dimensional. there are nine inequivalent Sc sites. In the first Sc site, Sc is bonded in a bent 150 degrees geometry to two equivalent Rh atoms. Both Sc–Rh bond lengths are 2.98 Å. In the second Sc site, Sc is bonded in a 2-coordinate geometry to three Rh atoms. There are a spread of Sc–Rh bond distances ranging from 2.95–3.44 Å. In the third Sc site, Sc is bonded in a 2-coordinate geometry to two equivalent Rh atoms. Both Sc–Rh bond lengths are 2.63 Å. In the fourth Sc site, Sc is bonded in a distorted trigonal planar geometry to three Rh atoms. There are one shorter (2.84 Å) and two longer (2.86 Å) Sc–Rh bond lengths. In the fifth Sc site, Sc is bonded in a distorted linear geometry to two equivalent Rh atoms. Both Sc–Rh bond lengths are 2.93 Å. In the sixth Sc site, Sc is bonded in a single-bond geometry to three Rh atoms. There are one shorter (2.55 Å) and two longer (3.37 Å) Sc–Rh bond lengths. In the seventh Sc site, Sc is bonded in a distorted linear geometry to two Rh atoms. There are one shorter (2.63 Å) and one longer (2.97 Å) Sc–Rh bond lengths. In the eighth Sc site, Sc is bonded in a 2-coordinate geometry to two equivalent Rh atoms. There are one shorter (2.92 Å) and one longer (3.06 Å) Sc–Rh bond lengths. In the ninth Sc site, Sc is bonded in a distorted linear geometry to two Rh atoms. There are one shorter (2.62 Å) and one longer (3.01 Å) Sc–Rh bond lengths. There are four inequivalent Rh sites. In the first Rh site, Rh is bonded in a 12-coordinate geometry to twelve Sc atoms. In the second Rh site, Rh is bonded in a cuboctahedral geometry to twelve equivalent Sc atoms. In the third Rh site, Rh is bonded in a cuboctahedral geometry to twelve equivalent Sc atoms. In the fourth Rh site, Rh is bonded in a 9-coordinate geometry to nine Sc atoms.},

  doi          = {10.17188/1205218},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu May 11 00:00:00 EDT 2017},

  month        = {Thu May 11 00:00:00 EDT 2017}

}

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DOI: https://doi.org/10.17188/1205218

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