Materials Data on Tm(CoGe)6 by Materials Project

doi:10.17188/1688856

Title: Materials Data on Tm(CoGe)6 by Materials Project

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Abstract

Tm(CoGe)6 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Tm is bonded to twelve equivalent Co and eight Ge atoms to form distorted TmCo12Ge8 hexagonal bipyramids that share faces with twenty-four equivalent CoTm2Co4Ge6 cuboctahedra and faces with six equivalent TmCo12Ge8 hexagonal bipyramids. All Tm–Co bond lengths are 3.21 Å. There are two shorter (2.70 Å) and six longer (2.93 Å) Tm–Ge bond lengths. Co is bonded to two equivalent Tm, four equivalent Co, and six Ge atoms to form distorted CoTm2Co4Ge6 cuboctahedra that share corners with fourteen equivalent CoTm2Co4Ge6 cuboctahedra, edges with seven equivalent CoTm2Co4Ge6 cuboctahedra, faces with nine equivalent CoTm2Co4Ge6 cuboctahedra, and faces with four equivalent TmCo12Ge8 hexagonal bipyramids. All Co–Co bond lengths are 2.54 Å. There are four shorter (2.45 Å) and two longer (2.64 Å) Co–Ge bond lengths. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 12-coordinate geometry to three equivalent Tm and six equivalent Co atoms. In the second Ge site, Ge is bonded in a 6-coordinate geometry to six equivalent Co atoms. In the third Ge site, Ge is bonded in a 8-coordinate geometry to one Tm, six equivalent Co, and one Ge atom.more » The Ge–Ge bond length is 2.45 Å.« less

Authors:: The Materials Project

Publication Date:: 2018-07-18

Other Number(s):: mp-1104464

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; Tm(CoGe)6; Co-Ge-Tm

OSTI Identifier:: 1688856

DOI:: https://doi.org/10.17188/1688856

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                    The Materials Project. Materials Data on Tm(CoGe)6 by Materials Project.  United States: N. p., 2018. 
        Web.  doi:10.17188/1688856.

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                    The Materials Project. Materials Data on Tm(CoGe)6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1688856

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                    The Materials Project. 2018.  
"Materials Data on Tm(CoGe)6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1688856.  https://www.osti.gov/servlets/purl/1688856. Pub date:Wed Jul 18 00:00:00 EDT 2018

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@article{osti_1688856,

  title        = {Materials Data on Tm(CoGe)6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Tm(CoGe)6 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Tm is bonded to twelve equivalent Co and eight Ge atoms to form distorted TmCo12Ge8 hexagonal bipyramids that share faces with twenty-four equivalent CoTm2Co4Ge6 cuboctahedra and faces with six equivalent TmCo12Ge8 hexagonal bipyramids. All Tm–Co bond lengths are 3.21 Å. There are two shorter (2.70 Å) and six longer (2.93 Å) Tm–Ge bond lengths. Co is bonded to two equivalent Tm, four equivalent Co, and six Ge atoms to form distorted CoTm2Co4Ge6 cuboctahedra that share corners with fourteen equivalent CoTm2Co4Ge6 cuboctahedra, edges with seven equivalent CoTm2Co4Ge6 cuboctahedra, faces with nine equivalent CoTm2Co4Ge6 cuboctahedra, and faces with four equivalent TmCo12Ge8 hexagonal bipyramids. All Co–Co bond lengths are 2.54 Å. There are four shorter (2.45 Å) and two longer (2.64 Å) Co–Ge bond lengths. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 12-coordinate geometry to three equivalent Tm and six equivalent Co atoms. In the second Ge site, Ge is bonded in a 6-coordinate geometry to six equivalent Co atoms. In the third Ge site, Ge is bonded in a 8-coordinate geometry to one Tm, six equivalent Co, and one Ge atom. The Ge–Ge bond length is 2.45 Å.},

  doi          = {10.17188/1688856},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2018},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1688856

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