Materials Data on PrCrGe3 by Materials Project

doi:10.17188/1189324

Title: Materials Data on PrCrGe3 by Materials Project

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Abstract

PrCrGe3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Pr is bonded to twelve equivalent Ge atoms to form distorted PrGe12 cuboctahedra that share corners with six equivalent PrGe12 cuboctahedra, corners with six equivalent CrGe6 octahedra, faces with eight equivalent PrGe12 cuboctahedra, and faces with six equivalent CrGe6 octahedra. The corner-sharing octahedral tilt angles are 27°. There are six shorter (3.10 Å) and six longer (3.25 Å) Pr–Ge bond lengths. Cr is bonded to six equivalent Ge atoms to form CrGe6 octahedra that share corners with six equivalent PrGe12 cuboctahedra, faces with six equivalent PrGe12 cuboctahedra, and faces with two equivalent CrGe6 octahedra. All Cr–Ge bond lengths are 2.51 Å. Ge is bonded in a 8-coordinate geometry to four equivalent Pr, two equivalent Cr, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.62 Å.

Authors:: The Materials Project

Publication Date:: Wed Jul 15 00:00:00 EDT 2020

Other Number(s):: mp-13007

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; PrCrGe3; Cr-Ge-Pr

OSTI Identifier:: 1189324

DOI:: https://doi.org/10.17188/1189324

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                    The Materials Project. Materials Data on PrCrGe3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1189324.

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                    The Materials Project. Materials Data on PrCrGe3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1189324

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                    The Materials Project. 2020.  
"Materials Data on PrCrGe3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1189324.  https://www.osti.gov/servlets/purl/1189324. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1189324,

  title        = {Materials Data on PrCrGe3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {PrCrGe3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Pr is bonded to twelve equivalent Ge atoms to form distorted PrGe12 cuboctahedra that share corners with six equivalent PrGe12 cuboctahedra, corners with six equivalent CrGe6 octahedra, faces with eight equivalent PrGe12 cuboctahedra, and faces with six equivalent CrGe6 octahedra. The corner-sharing octahedral tilt angles are 27°. There are six shorter (3.10 Å) and six longer (3.25 Å) Pr–Ge bond lengths. Cr is bonded to six equivalent Ge atoms to form CrGe6 octahedra that share corners with six equivalent PrGe12 cuboctahedra, faces with six equivalent PrGe12 cuboctahedra, and faces with two equivalent CrGe6 octahedra. All Cr–Ge bond lengths are 2.51 Å. Ge is bonded in a 8-coordinate geometry to four equivalent Pr, two equivalent Cr, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.62 Å.},

  doi          = {10.17188/1189324},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 15 00:00:00 EDT 2020},

  month        = {Wed Jul 15 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1189324

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