Materials Data on Dy(CoGe)6 by Materials Project

doi:10.17188/1705762

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

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Abstract

Dy(CoGe)6 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Dy is bonded to twelve equivalent Co and eight Ge atoms to form distorted DyCo12Ge8 hexagonal bipyramids that share faces with twenty-four equivalent CoDy2Co4Ge6 cuboctahedra and faces with six equivalent DyCo12Ge8 hexagonal bipyramids. All Dy–Co bond lengths are 3.22 Å. There are two shorter (2.72 Å) and six longer (2.94 Å) Dy–Ge bond lengths. Co is bonded to two equivalent Dy, four equivalent Co, and six Ge atoms to form distorted CoDy2Co4Ge6 cuboctahedra that share corners with fourteen equivalent CoDy2Co4Ge6 cuboctahedra, edges with seven equivalent CoDy2Co4Ge6 cuboctahedra, faces with nine equivalent CoDy2Co4Ge6 cuboctahedra, and faces with four equivalent DyCo12Ge8 hexagonal bipyramids. All Co–Co bond lengths are 2.54 Å. There are a spread of Co–Ge bond distances ranging from 2.45–2.65 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 12-coordinate geometry to three equivalent Dy 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 Dy, six equivalent Co, and one Ge atom. The Ge–Gemore » bond length is 2.44 Å.« less

Authors:: The Materials Project

Publication Date:: 2018-07-18

Other Number(s):: mp-1104374

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

OSTI Identifier:: 1705762

DOI:: https://doi.org/10.17188/1705762

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                    The Materials Project. Materials Data on Dy(CoGe)6 by Materials Project.  United States: N. p., 2018. 
        Web.  doi:10.17188/1705762.

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                    The Materials Project. Materials Data on Dy(CoGe)6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1705762

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                    The Materials Project. 2018.  
"Materials Data on Dy(CoGe)6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1705762.  https://www.osti.gov/servlets/purl/1705762. Pub date:Wed Jul 18 00:00:00 EDT 2018

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@article{osti_1705762,

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

  author       = {The Materials Project},

  abstractNote = {Dy(CoGe)6 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Dy is bonded to twelve equivalent Co and eight Ge atoms to form distorted DyCo12Ge8 hexagonal bipyramids that share faces with twenty-four equivalent CoDy2Co4Ge6 cuboctahedra and faces with six equivalent DyCo12Ge8 hexagonal bipyramids. All Dy–Co bond lengths are 3.22 Å. There are two shorter (2.72 Å) and six longer (2.94 Å) Dy–Ge bond lengths. Co is bonded to two equivalent Dy, four equivalent Co, and six Ge atoms to form distorted CoDy2Co4Ge6 cuboctahedra that share corners with fourteen equivalent CoDy2Co4Ge6 cuboctahedra, edges with seven equivalent CoDy2Co4Ge6 cuboctahedra, faces with nine equivalent CoDy2Co4Ge6 cuboctahedra, and faces with four equivalent DyCo12Ge8 hexagonal bipyramids. All Co–Co bond lengths are 2.54 Å. There are a spread of Co–Ge bond distances ranging from 2.45–2.65 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 12-coordinate geometry to three equivalent Dy 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 Dy, six equivalent Co, and one Ge atom. The Ge–Ge bond length is 2.44 Å.},

  doi          = {10.17188/1705762},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2018},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1705762

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