Materials Data on SmY(CoNi)2 by Materials Project

doi:10.17188/1680482

Title: Materials Data on SmY(CoNi)2 by Materials Project

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Abstract

SmY(CoNi)2 is Hexagonal Laves-derived structured and crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. Sm is bonded in a 12-coordinate geometry to four equivalent Y, six equivalent Co, and six equivalent Ni atoms. There are two shorter (3.13 Å) and two longer (3.14 Å) Sm–Y bond lengths. There are four shorter (3.00 Å) and two longer (3.02 Å) Sm–Co bond lengths. There are four shorter (2.96 Å) and two longer (3.05 Å) Sm–Ni bond lengths. Y is bonded in a 12-coordinate geometry to four equivalent Sm, six equivalent Co, and six equivalent Ni atoms. All Y–Co bond lengths are 3.01 Å. There are four shorter (2.96 Å) and two longer (3.06 Å) Y–Ni bond lengths. Co is bonded to three equivalent Sm, three equivalent Y, two equivalent Co, and four equivalent Ni atoms to form CoSm3Y3Co2Ni4 cuboctahedra that share corners with eight equivalent NiSm3Y3Co4Ni2 cuboctahedra, corners with ten equivalent CoSm3Y3Co2Ni4 cuboctahedra, edges with six equivalent CoSm3Y3Co2Ni4 cuboctahedra, faces with six equivalent CoSm3Y3Co2Ni4 cuboctahedra, and faces with twelve equivalent NiSm3Y3Co4Ni2 cuboctahedra. There are one shorter (2.51 Å) and one longer (2.52 Å) Co–Co bond lengths. All Co–Ni bond lengths are 2.57 Å. Ni is bonded to three equivalentmore »« less

Publication Date:: 2020-05-03

Other Number(s):: mp-1219039

DOE Contract Number:: AC02-05CH11231

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; Co-Ni-Sm-Y; SmY(CoNi)2; crystal structure

OSTI Identifier:: 1680482

DOI:: https://doi.org/10.17188/1680482

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                    Materials Data on SmY(CoNi)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1680482.

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                    Materials Data on SmY(CoNi)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1680482

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                    2020.  
"Materials Data on SmY(CoNi)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1680482.  https://www.osti.gov/servlets/purl/1680482. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1680482,

  title        = {Materials Data on SmY(CoNi)2 by Materials Project},

  
  abstractNote = {SmY(CoNi)2 is Hexagonal Laves-derived structured and crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. Sm is bonded in a 12-coordinate geometry to four equivalent Y, six equivalent Co, and six equivalent Ni atoms. There are two shorter (3.13 Å) and two longer (3.14 Å) Sm–Y bond lengths. There are four shorter (3.00 Å) and two longer (3.02 Å) Sm–Co bond lengths. There are four shorter (2.96 Å) and two longer (3.05 Å) Sm–Ni bond lengths. Y is bonded in a 12-coordinate geometry to four equivalent Sm, six equivalent Co, and six equivalent Ni atoms. All Y–Co bond lengths are 3.01 Å. There are four shorter (2.96 Å) and two longer (3.06 Å) Y–Ni bond lengths. Co is bonded to three equivalent Sm, three equivalent Y, two equivalent Co, and four equivalent Ni atoms to form CoSm3Y3Co2Ni4 cuboctahedra that share corners with eight equivalent NiSm3Y3Co4Ni2 cuboctahedra, corners with ten equivalent CoSm3Y3Co2Ni4 cuboctahedra, edges with six equivalent CoSm3Y3Co2Ni4 cuboctahedra, faces with six equivalent CoSm3Y3Co2Ni4 cuboctahedra, and faces with twelve equivalent NiSm3Y3Co4Ni2 cuboctahedra. There are one shorter (2.51 Å) and one longer (2.52 Å) Co–Co bond lengths. All Co–Ni bond lengths are 2.57 Å. Ni is bonded to three equivalent Sm, three equivalent Y, four equivalent Co, and two equivalent Ni atoms to form NiSm3Y3Co4Ni2 cuboctahedra that share corners with eight equivalent CoSm3Y3Co2Ni4 cuboctahedra, corners with ten equivalent NiSm3Y3Co4Ni2 cuboctahedra, edges with six equivalent NiSm3Y3Co4Ni2 cuboctahedra, faces with six equivalent NiSm3Y3Co4Ni2 cuboctahedra, and faces with twelve equivalent CoSm3Y3Co2Ni4 cuboctahedra. There are one shorter (2.56 Å) and one longer (2.57 Å) Ni–Ni bond lengths.},

  doi          = {10.17188/1680482},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1680482

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