Materials Data on Sc3B2Rh5 by Materials Project

doi:10.17188/1266361

Title: Materials Data on Sc3B2Rh5 by Materials Project

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Abstract

Sc3Rh5B2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. there are two inequivalent Sc sites. In the first Sc site, Sc is bonded in a 11-coordinate geometry to ten Rh and three equivalent B atoms. There are a spread of Sc–Rh bond distances ranging from 2.82–2.98 Å. There are one shorter (2.73 Å) and two longer (2.87 Å) Sc–B bond lengths. In the second Sc site, Sc is bonded in a body-centered cubic geometry to eight equivalent Rh atoms. All Sc–Rh bond lengths are 2.72 Å. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 8-coordinate geometry to six Sc and two equivalent B atoms. Both Rh–B bond lengths are 2.20 Å. In the second Rh site, Rh is bonded in a 8-coordinate geometry to four equivalent Sc and four equivalent B atoms. All Rh–B bond lengths are 2.27 Å. B is bonded in a 9-coordinate geometry to three equivalent Sc and six Rh atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-14

Other Number(s):: mp-542020

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; Sc3B2Rh5; B-Rh-Sc

OSTI Identifier:: 1266361

DOI:: https://doi.org/10.17188/1266361

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                    The Materials Project. Materials Data on Sc3B2Rh5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1266361.

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                    The Materials Project. Materials Data on Sc3B2Rh5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1266361

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                    The Materials Project. 2020.  
"Materials Data on Sc3B2Rh5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1266361.  https://www.osti.gov/servlets/purl/1266361. Pub date:Tue Jul 14 00:00:00 EDT 2020

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@article{osti_1266361,

  title        = {Materials Data on Sc3B2Rh5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Sc3Rh5B2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. there are two inequivalent Sc sites. In the first Sc site, Sc is bonded in a 11-coordinate geometry to ten Rh and three equivalent B atoms. There are a spread of Sc–Rh bond distances ranging from 2.82–2.98 Å. There are one shorter (2.73 Å) and two longer (2.87 Å) Sc–B bond lengths. In the second Sc site, Sc is bonded in a body-centered cubic geometry to eight equivalent Rh atoms. All Sc–Rh bond lengths are 2.72 Å. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 8-coordinate geometry to six Sc and two equivalent B atoms. Both Rh–B bond lengths are 2.20 Å. In the second Rh site, Rh is bonded in a 8-coordinate geometry to four equivalent Sc and four equivalent B atoms. All Rh–B bond lengths are 2.27 Å. B is bonded in a 9-coordinate geometry to three equivalent Sc and six Rh atoms.},

  doi          = {10.17188/1266361},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1266361

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