Materials Data on Lu(CoGe)6 by Materials Project

doi:10.17188/1713845

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

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Abstract

Lu(CoGe)6 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Lu is bonded to twelve equivalent Co and eight Ge atoms to form distorted LuCo12Ge8 hexagonal bipyramids that share faces with twenty-four equivalent CoLu2Co4Ge6 cuboctahedra and faces with six equivalent LuCo12Ge8 hexagonal bipyramids. All Lu–Co bond lengths are 3.20 Å. There are two shorter (2.70 Å) and six longer (2.92 Å) Lu–Ge bond lengths. Co is bonded to two equivalent Lu, four equivalent Co, and six Ge atoms to form distorted CoLu2Co4Ge6 cuboctahedra that share corners with fourteen equivalent CoLu2Co4Ge6 cuboctahedra, edges with seven equivalent CoLu2Co4Ge6 cuboctahedra, faces with nine equivalent CoLu2Co4Ge6 cuboctahedra, and faces with four equivalent LuCo12Ge8 hexagonal bipyramids. All Co–Co bond lengths are 2.53 Å. There are a spread of Co–Ge bond distances ranging from 2.44–2.63 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 12-coordinate geometry to three equivalent Lu 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 Lu, six equivalent Co, and one Ge atom. The Ge–Gemore » bond length is 2.45 Å.« less

Authors:: The Materials Project

Publication Date:: Wed Jul 18 00:00:00 EDT 2018

Other Number(s):: mp-1104467

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

OSTI Identifier:: 1713845

DOI:: https://doi.org/10.17188/1713845

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                    The Materials Project. Materials Data on Lu(CoGe)6 by Materials Project.  United States: N. p., 2018. 
        Web.  doi:10.17188/1713845.

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                    The Materials Project. Materials Data on Lu(CoGe)6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1713845

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                    The Materials Project. 2018.  
"Materials Data on Lu(CoGe)6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1713845.  https://www.osti.gov/servlets/purl/1713845. Pub date:Wed Jul 18 00:00:00 EDT 2018

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@article{osti_1713845,

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

  author       = {The Materials Project},

  abstractNote = {Lu(CoGe)6 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Lu is bonded to twelve equivalent Co and eight Ge atoms to form distorted LuCo12Ge8 hexagonal bipyramids that share faces with twenty-four equivalent CoLu2Co4Ge6 cuboctahedra and faces with six equivalent LuCo12Ge8 hexagonal bipyramids. All Lu–Co bond lengths are 3.20 Å. There are two shorter (2.70 Å) and six longer (2.92 Å) Lu–Ge bond lengths. Co is bonded to two equivalent Lu, four equivalent Co, and six Ge atoms to form distorted CoLu2Co4Ge6 cuboctahedra that share corners with fourteen equivalent CoLu2Co4Ge6 cuboctahedra, edges with seven equivalent CoLu2Co4Ge6 cuboctahedra, faces with nine equivalent CoLu2Co4Ge6 cuboctahedra, and faces with four equivalent LuCo12Ge8 hexagonal bipyramids. All Co–Co bond lengths are 2.53 Å. There are a spread of Co–Ge bond distances ranging from 2.44–2.63 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 12-coordinate geometry to three equivalent Lu 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 Lu, six equivalent Co, and one Ge atom. The Ge–Ge bond length is 2.45 Å.},

  doi          = {10.17188/1713845},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 18 00:00:00 EDT 2018},

  month        = {Wed Jul 18 00:00:00 EDT 2018}

}

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DOI: https://doi.org/10.17188/1713845

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