Materials Data on Ce2NiRu3 by Materials Project

doi:10.17188/1751496

Title: Materials Data on Ce2NiRu3 by Materials Project

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Abstract

Ce2Ru3Ni crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Ce is bonded in a 12-coordinate geometry to nine equivalent Ru and three equivalent Ni atoms. There are three shorter (3.06 Å) and six longer (3.10 Å) Ce–Ru bond lengths. All Ce–Ni bond lengths are 3.13 Å. Ru is bonded to six equivalent Ce, four equivalent Ru, and two equivalent Ni atoms to form distorted RuCe6Ni2Ru4 cuboctahedra that share corners with four equivalent NiCe6Ru6 cuboctahedra, corners with fourteen equivalent RuCe6Ni2Ru4 cuboctahedra, edges with six equivalent RuCe6Ni2Ru4 cuboctahedra, faces with six equivalent NiCe6Ru6 cuboctahedra, and faces with twelve equivalent RuCe6Ni2Ru4 cuboctahedra. All Ru–Ru bond lengths are 2.67 Å. Both Ru–Ni bond lengths are 2.61 Å. Ni is bonded to six equivalent Ce and six equivalent Ru atoms to form NiCe6Ru6 cuboctahedra that share corners with six equivalent NiCe6Ru6 cuboctahedra, corners with twelve equivalent RuCe6Ni2Ru4 cuboctahedra, edges with six equivalent NiCe6Ru6 cuboctahedra, and faces with eighteen equivalent RuCe6Ni2Ru4 cuboctahedra.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1226785

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; Ce2NiRu3; Ce-Ni-Ru

OSTI Identifier:: 1751496

DOI:: https://doi.org/10.17188/1751496

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                    The Materials Project. Materials Data on Ce2NiRu3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1751496.

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                    The Materials Project. Materials Data on Ce2NiRu3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1751496

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                    The Materials Project. 2020.  
"Materials Data on Ce2NiRu3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1751496.  https://www.osti.gov/servlets/purl/1751496. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1751496,

  title        = {Materials Data on Ce2NiRu3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ce2Ru3Ni crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Ce is bonded in a 12-coordinate geometry to nine equivalent Ru and three equivalent Ni atoms. There are three shorter (3.06 Å) and six longer (3.10 Å) Ce–Ru bond lengths. All Ce–Ni bond lengths are 3.13 Å. Ru is bonded to six equivalent Ce, four equivalent Ru, and two equivalent Ni atoms to form distorted RuCe6Ni2Ru4 cuboctahedra that share corners with four equivalent NiCe6Ru6 cuboctahedra, corners with fourteen equivalent RuCe6Ni2Ru4 cuboctahedra, edges with six equivalent RuCe6Ni2Ru4 cuboctahedra, faces with six equivalent NiCe6Ru6 cuboctahedra, and faces with twelve equivalent RuCe6Ni2Ru4 cuboctahedra. All Ru–Ru bond lengths are 2.67 Å. Both Ru–Ni bond lengths are 2.61 Å. Ni is bonded to six equivalent Ce and six equivalent Ru atoms to form NiCe6Ru6 cuboctahedra that share corners with six equivalent NiCe6Ru6 cuboctahedra, corners with twelve equivalent RuCe6Ni2Ru4 cuboctahedra, edges with six equivalent NiCe6Ru6 cuboctahedra, and faces with eighteen equivalent RuCe6Ni2Ru4 cuboctahedra.},

  doi          = {10.17188/1751496},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1751496

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