Materials Data on ScPRu by Materials Project

doi:10.17188/1191766

Title: Materials Data on ScPRu by Materials Project

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Abstract

ScRuP crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Sc is bonded in a 11-coordinate geometry to six equivalent Ru and five P atoms. There are two shorter (2.91 Å) and four longer (2.97 Å) Sc–Ru bond lengths. There are four shorter (2.69 Å) and one longer (2.70 Å) Sc–P bond lengths. Ru is bonded in a 12-coordinate geometry to six equivalent Sc, two equivalent Ru, and four P atoms. Both Ru–Ru bond lengths are 2.78 Å. There are two shorter (2.43 Å) and two longer (2.53 Å) Ru–P bond lengths. There are two inequivalent P sites. In the first P site, P is bonded in a 9-coordinate geometry to six equivalent Sc and three equivalent Ru atoms. In the second P site, P is bonded in a 9-coordinate geometry to three equivalent Sc and six equivalent Ru atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-16

Other Number(s):: mp-16305

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; ScPRu; P-Ru-Sc

OSTI Identifier:: 1191766

DOI:: https://doi.org/10.17188/1191766

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                    The Materials Project. Materials Data on ScPRu by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1191766.

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                    The Materials Project. Materials Data on ScPRu by Materials Project.  United States.  doi:https://doi.org/10.17188/1191766

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                    The Materials Project. 2020.  
"Materials Data on ScPRu by Materials Project".  United States.  doi:https://doi.org/10.17188/1191766.  https://www.osti.gov/servlets/purl/1191766. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1191766,

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

  author       = {The Materials Project},

  abstractNote = {ScRuP crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Sc is bonded in a 11-coordinate geometry to six equivalent Ru and five P atoms. There are two shorter (2.91 Å) and four longer (2.97 Å) Sc–Ru bond lengths. There are four shorter (2.69 Å) and one longer (2.70 Å) Sc–P bond lengths. Ru is bonded in a 12-coordinate geometry to six equivalent Sc, two equivalent Ru, and four P atoms. Both Ru–Ru bond lengths are 2.78 Å. There are two shorter (2.43 Å) and two longer (2.53 Å) Ru–P bond lengths. There are two inequivalent P sites. In the first P site, P is bonded in a 9-coordinate geometry to six equivalent Sc and three equivalent Ru atoms. In the second P site, P is bonded in a 9-coordinate geometry to three equivalent Sc and six equivalent Ru atoms.},

  doi          = {10.17188/1191766},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1191766

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