Materials Data on Sc5Re24 by Materials Project

doi:10.17188/1188063

Title: Materials Data on Sc5Re24 by Materials Project

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Abstract

Sc5Re24 crystallizes in the cubic I-43m space group. The structure is three-dimensional. there are two inequivalent Sc sites. In the first Sc site, Sc is bonded in a 3-coordinate geometry to one Sc and fifteen Re atoms. The Sc–Sc bond length is 3.10 Å. There are a spread of Sc–Re bond distances ranging from 2.79–3.26 Å. In the second Sc site, Sc is bonded in a 12-coordinate geometry to four equivalent Sc and twelve equivalent Re atoms. All Sc–Re bond lengths are 3.06 Å. There are two inequivalent Re sites. In the first Re site, Re is bonded to four Sc and eight Re atoms to form a mixture of distorted face, edge, and corner-sharing ReSc4Re8 cuboctahedra. There are a spread of Re–Re bond distances ranging from 2.55–2.89 Å. In the second Re site, Re is bonded in a 1-coordinate geometry to two equivalent Sc and eleven Re atoms. There are two shorter (2.83 Å) and four longer (2.94 Å) Re–Re bond lengths.

Authors:: The Materials Project

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

Other Number(s):: mp-11558

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; Sc5Re24; Re-Sc

OSTI Identifier:: 1188063

DOI:: https://doi.org/10.17188/1188063

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                    The Materials Project. Materials Data on Sc5Re24 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1188063.

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                    The Materials Project. Materials Data on Sc5Re24 by Materials Project.  United States.  doi:https://doi.org/10.17188/1188063

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                    The Materials Project. 2020.  
"Materials Data on Sc5Re24 by Materials Project".  United States.  doi:https://doi.org/10.17188/1188063.  https://www.osti.gov/servlets/purl/1188063. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1188063,

  title        = {Materials Data on Sc5Re24 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Sc5Re24 crystallizes in the cubic I-43m space group. The structure is three-dimensional. there are two inequivalent Sc sites. In the first Sc site, Sc is bonded in a 3-coordinate geometry to one Sc and fifteen Re atoms. The Sc–Sc bond length is 3.10 Å. There are a spread of Sc–Re bond distances ranging from 2.79–3.26 Å. In the second Sc site, Sc is bonded in a 12-coordinate geometry to four equivalent Sc and twelve equivalent Re atoms. All Sc–Re bond lengths are 3.06 Å. There are two inequivalent Re sites. In the first Re site, Re is bonded to four Sc and eight Re atoms to form a mixture of distorted face, edge, and corner-sharing ReSc4Re8 cuboctahedra. There are a spread of Re–Re bond distances ranging from 2.55–2.89 Å. In the second Re site, Re is bonded in a 1-coordinate geometry to two equivalent Sc and eleven Re atoms. There are two shorter (2.83 Å) and four longer (2.94 Å) Re–Re bond lengths.},

  doi          = {10.17188/1188063},

  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/10.17188/1188063

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