Materials Data on HoFeRu by Materials Project

doi:10.17188/1685989

Title: Materials Data on HoFeRu by Materials Project

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Abstract

HoRuFe crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Ho is bonded in a 12-coordinate geometry to six equivalent Ru and six equivalent Fe atoms. There are four shorter (3.01 Å) and two longer (3.03 Å) Ho–Ru bond lengths. There are two shorter (2.96 Å) and four longer (3.10 Å) Ho–Fe bond lengths. Ru is bonded to six equivalent Ho, two equivalent Ru, and four equivalent Fe atoms to form distorted RuHo6Fe4Ru2 cuboctahedra that share corners with eight equivalent FeHo6Fe2Ru4 cuboctahedra, corners with ten equivalent RuHo6Fe4Ru2 cuboctahedra, edges with six equivalent RuHo6Fe4Ru2 cuboctahedra, faces with six equivalent RuHo6Fe4Ru2 cuboctahedra, and faces with twelve equivalent FeHo6Fe2Ru4 cuboctahedra. Both Ru–Ru bond lengths are 2.67 Å. All Ru–Fe bond lengths are 2.58 Å. Fe is bonded to six equivalent Ho, four equivalent Ru, and two equivalent Fe atoms to form FeHo6Fe2Ru4 cuboctahedra that share corners with eight equivalent RuHo6Fe4Ru2 cuboctahedra, corners with ten equivalent FeHo6Fe2Ru4 cuboctahedra, edges with six equivalent FeHo6Fe2Ru4 cuboctahedra, faces with six equivalent FeHo6Fe2Ru4 cuboctahedra, and faces with twelve equivalent RuHo6Fe4Ru2 cuboctahedra. Both Fe–Fe bond lengths are 2.54 Å.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1223925

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; HoFeRu; Fe-Ho-Ru

OSTI Identifier:: 1685989

DOI:: https://doi.org/10.17188/1685989

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                    The Materials Project. Materials Data on HoFeRu by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1685989.

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                    The Materials Project. Materials Data on HoFeRu by Materials Project.  United States.  doi:https://doi.org/10.17188/1685989

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                    The Materials Project. 2020.  
"Materials Data on HoFeRu by Materials Project".  United States.  doi:https://doi.org/10.17188/1685989.  https://www.osti.gov/servlets/purl/1685989. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1685989,

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

  author       = {The Materials Project},

  abstractNote = {HoRuFe crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Ho is bonded in a 12-coordinate geometry to six equivalent Ru and six equivalent Fe atoms. There are four shorter (3.01 Å) and two longer (3.03 Å) Ho–Ru bond lengths. There are two shorter (2.96 Å) and four longer (3.10 Å) Ho–Fe bond lengths. Ru is bonded to six equivalent Ho, two equivalent Ru, and four equivalent Fe atoms to form distorted RuHo6Fe4Ru2 cuboctahedra that share corners with eight equivalent FeHo6Fe2Ru4 cuboctahedra, corners with ten equivalent RuHo6Fe4Ru2 cuboctahedra, edges with six equivalent RuHo6Fe4Ru2 cuboctahedra, faces with six equivalent RuHo6Fe4Ru2 cuboctahedra, and faces with twelve equivalent FeHo6Fe2Ru4 cuboctahedra. Both Ru–Ru bond lengths are 2.67 Å. All Ru–Fe bond lengths are 2.58 Å. Fe is bonded to six equivalent Ho, four equivalent Ru, and two equivalent Fe atoms to form FeHo6Fe2Ru4 cuboctahedra that share corners with eight equivalent RuHo6Fe4Ru2 cuboctahedra, corners with ten equivalent FeHo6Fe2Ru4 cuboctahedra, edges with six equivalent FeHo6Fe2Ru4 cuboctahedra, faces with six equivalent FeHo6Fe2Ru4 cuboctahedra, and faces with twelve equivalent RuHo6Fe4Ru2 cuboctahedra. Both Fe–Fe bond lengths are 2.54 Å.},

  doi          = {10.17188/1685989},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1685989

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