Materials Data on Y2NiRu3 by Materials Project

doi:10.17188/1680579

Title: Materials Data on Y2NiRu3 by Materials Project

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Abstract

Y2Ru3Ni is Cubic Laves-derived structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Y is bonded in a 12-coordinate geometry to nine equivalent Ru and three equivalent Ni atoms. There are six shorter (3.08 Å) and three longer (3.12 Å) Y–Ru bond lengths. All Y–Ni bond lengths are 3.08 Å. Ru is bonded to six equivalent Y, four equivalent Ru, and two equivalent Ni atoms to form RuY6Ni2Ru4 cuboctahedra that share corners with four equivalent NiY6Ru6 cuboctahedra, corners with fourteen equivalent RuY6Ni2Ru4 cuboctahedra, edges with six equivalent RuY6Ni2Ru4 cuboctahedra, faces with six equivalent NiY6Ru6 cuboctahedra, and faces with twelve equivalent RuY6Ni2Ru4 cuboctahedra. All Ru–Ru bond lengths are 2.63 Å. Both Ru–Ni bond lengths are 2.65 Å. Ni is bonded to six equivalent Y and six equivalent Ru atoms to form NiY6Ru6 cuboctahedra that share corners with six equivalent NiY6Ru6 cuboctahedra, corners with twelve equivalent RuY6Ni2Ru4 cuboctahedra, edges with six equivalent NiY6Ru6 cuboctahedra, and faces with eighteen equivalent RuY6Ni2Ru4 cuboctahedra.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1216057

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; Y2NiRu3; Ni-Ru-Y

OSTI Identifier:: 1680579

DOI:: https://doi.org/10.17188/1680579

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                    The Materials Project. Materials Data on Y2NiRu3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1680579.

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                    The Materials Project. Materials Data on Y2NiRu3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1680579

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                    The Materials Project. 2020.  
"Materials Data on Y2NiRu3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1680579.  https://www.osti.gov/servlets/purl/1680579. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1680579,

  title        = {Materials Data on Y2NiRu3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Y2Ru3Ni is Cubic Laves-derived structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Y is bonded in a 12-coordinate geometry to nine equivalent Ru and three equivalent Ni atoms. There are six shorter (3.08 Å) and three longer (3.12 Å) Y–Ru bond lengths. All Y–Ni bond lengths are 3.08 Å. Ru is bonded to six equivalent Y, four equivalent Ru, and two equivalent Ni atoms to form RuY6Ni2Ru4 cuboctahedra that share corners with four equivalent NiY6Ru6 cuboctahedra, corners with fourteen equivalent RuY6Ni2Ru4 cuboctahedra, edges with six equivalent RuY6Ni2Ru4 cuboctahedra, faces with six equivalent NiY6Ru6 cuboctahedra, and faces with twelve equivalent RuY6Ni2Ru4 cuboctahedra. All Ru–Ru bond lengths are 2.63 Å. Both Ru–Ni bond lengths are 2.65 Å. Ni is bonded to six equivalent Y and six equivalent Ru atoms to form NiY6Ru6 cuboctahedra that share corners with six equivalent NiY6Ru6 cuboctahedra, corners with twelve equivalent RuY6Ni2Ru4 cuboctahedra, edges with six equivalent NiY6Ru6 cuboctahedra, and faces with eighteen equivalent RuY6Ni2Ru4 cuboctahedra.},

  doi          = {10.17188/1680579},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1680579

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