Materials Data on ErCoRu by Materials Project

doi:10.17188/1751189

Title: Materials Data on ErCoRu by Materials Project

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Abstract

ErRuCo crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Er is bonded in a 12-coordinate geometry to six equivalent Ru and six equivalent Co atoms. There are four shorter (3.02 Å) and two longer (3.05 Å) Er–Ru bond lengths. There are four shorter (3.02 Å) and two longer (3.06 Å) Er–Co bond lengths. Ru is bonded to six equivalent Er, two equivalent Ru, and four equivalent Co atoms to form RuEr6Co4Ru2 cuboctahedra that share corners with eight equivalent CoEr6Co2Ru4 cuboctahedra, corners with ten equivalent RuEr6Co4Ru2 cuboctahedra, edges with six equivalent RuEr6Co4Ru2 cuboctahedra, faces with six equivalent RuEr6Co4Ru2 cuboctahedra, and faces with twelve equivalent CoEr6Co2Ru4 cuboctahedra. Both Ru–Ru bond lengths are 2.57 Å. All Ru–Co bond lengths are 2.59 Å. Co is bonded to six equivalent Er, four equivalent Ru, and two equivalent Co atoms to form CoEr6Co2Ru4 cuboctahedra that share corners with eight equivalent RuEr6Co4Ru2 cuboctahedra, corners with ten equivalent CoEr6Co2Ru4 cuboctahedra, edges with six equivalent CoEr6Co2Ru4 cuboctahedra, faces with six equivalent CoEr6Co2Ru4 cuboctahedra, and faces with twelve equivalent RuEr6Co4Ru2 cuboctahedra. Both Co–Co bond lengths are 2.57 Å.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1225544

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; ErCoRu; Co-Er-Ru

OSTI Identifier:: 1751189

DOI:: https://doi.org/10.17188/1751189

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                    The Materials Project. Materials Data on ErCoRu by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1751189.

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                    The Materials Project. Materials Data on ErCoRu by Materials Project.  United States.  doi:https://doi.org/10.17188/1751189

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                    The Materials Project. 2020.  
"Materials Data on ErCoRu by Materials Project".  United States.  doi:https://doi.org/10.17188/1751189.  https://www.osti.gov/servlets/purl/1751189. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1751189,

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

  author       = {The Materials Project},

  abstractNote = {ErRuCo crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Er is bonded in a 12-coordinate geometry to six equivalent Ru and six equivalent Co atoms. There are four shorter (3.02 Å) and two longer (3.05 Å) Er–Ru bond lengths. There are four shorter (3.02 Å) and two longer (3.06 Å) Er–Co bond lengths. Ru is bonded to six equivalent Er, two equivalent Ru, and four equivalent Co atoms to form RuEr6Co4Ru2 cuboctahedra that share corners with eight equivalent CoEr6Co2Ru4 cuboctahedra, corners with ten equivalent RuEr6Co4Ru2 cuboctahedra, edges with six equivalent RuEr6Co4Ru2 cuboctahedra, faces with six equivalent RuEr6Co4Ru2 cuboctahedra, and faces with twelve equivalent CoEr6Co2Ru4 cuboctahedra. Both Ru–Ru bond lengths are 2.57 Å. All Ru–Co bond lengths are 2.59 Å. Co is bonded to six equivalent Er, four equivalent Ru, and two equivalent Co atoms to form CoEr6Co2Ru4 cuboctahedra that share corners with eight equivalent RuEr6Co4Ru2 cuboctahedra, corners with ten equivalent CoEr6Co2Ru4 cuboctahedra, edges with six equivalent CoEr6Co2Ru4 cuboctahedra, faces with six equivalent CoEr6Co2Ru4 cuboctahedra, and faces with twelve equivalent RuEr6Co4Ru2 cuboctahedra. Both Co–Co bond lengths are 2.57 Å.},

  doi          = {10.17188/1751189},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1751189

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