Materials Data on Sc(P2Ru3)2 by Materials Project

doi:10.17188/1747097

Title: Materials Data on Sc(P2Ru3)2 by Materials Project

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Abstract

Sc(Ru3P2)2 crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Sc is bonded to six equivalent Ru and six equivalent P atoms to form face-sharing ScP6Ru6 cuboctahedra. All Sc–Ru bond lengths are 3.00 Å. All Sc–P bond lengths are 2.90 Å. There are two inequivalent Ru sites. In the first Ru site, Ru is bonded in a 6-coordinate geometry to two equivalent Sc and four P atoms. There are two shorter (2.31 Å) and two longer (2.47 Å) Ru–P bond lengths. In the second Ru site, Ru is bonded in a 5-coordinate geometry to five P atoms. There are one shorter (2.44 Å) and four longer (2.49 Å) Ru–P bond lengths. There are two inequivalent P sites. In the first P site, P is bonded in a 8-coordinate geometry to two equivalent Sc and six Ru atoms. In the second P site, P is bonded in a 9-coordinate geometry to nine Ru atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1102487

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; Sc(P2Ru3)2; P-Ru-Sc

OSTI Identifier:: 1747097

DOI:: https://doi.org/10.17188/1747097

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                    The Materials Project. Materials Data on Sc(P2Ru3)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1747097.

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                    The Materials Project. Materials Data on Sc(P2Ru3)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1747097

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                    The Materials Project. 2020.  
"Materials Data on Sc(P2Ru3)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1747097.  https://www.osti.gov/servlets/purl/1747097. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1747097,

  title        = {Materials Data on Sc(P2Ru3)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Sc(Ru3P2)2 crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Sc is bonded to six equivalent Ru and six equivalent P atoms to form face-sharing ScP6Ru6 cuboctahedra. All Sc–Ru bond lengths are 3.00 Å. All Sc–P bond lengths are 2.90 Å. There are two inequivalent Ru sites. In the first Ru site, Ru is bonded in a 6-coordinate geometry to two equivalent Sc and four P atoms. There are two shorter (2.31 Å) and two longer (2.47 Å) Ru–P bond lengths. In the second Ru site, Ru is bonded in a 5-coordinate geometry to five P atoms. There are one shorter (2.44 Å) and four longer (2.49 Å) Ru–P bond lengths. There are two inequivalent P sites. In the first P site, P is bonded in a 8-coordinate geometry to two equivalent Sc and six Ru atoms. In the second P site, P is bonded in a 9-coordinate geometry to nine Ru atoms.},

  doi          = {10.17188/1747097},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1747097

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