Materials Data on SmCrGe3 by Materials Project

doi:10.17188/1189326

Title: Materials Data on SmCrGe3 by Materials Project

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Abstract

SmCrGe3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Sm is bonded to twelve equivalent Ge atoms to form distorted SmGe12 cuboctahedra that share corners with six equivalent SmGe12 cuboctahedra, corners with six equivalent CrGe6 octahedra, faces with eight equivalent SmGe12 cuboctahedra, and faces with six equivalent CrGe6 octahedra. The corner-sharing octahedral tilt angles are 27°. There are six shorter (3.08 Å) and six longer (3.23 Å) Sm–Ge bond lengths. Cr is bonded to six equivalent Ge atoms to form CrGe6 octahedra that share corners with six equivalent SmGe12 cuboctahedra, faces with six equivalent SmGe12 cuboctahedra, and faces with two equivalent CrGe6 octahedra. All Cr–Ge bond lengths are 2.49 Å. Ge is bonded in a 8-coordinate geometry to four equivalent Sm, two equivalent Cr, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.59 Å.

Authors:: The Materials Project

Publication Date:: Thu Jul 16 00:00:00 EDT 2020

Other Number(s):: mp-13009

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; SmCrGe3; Cr-Ge-Sm

OSTI Identifier:: 1189326

DOI:: https://doi.org/10.17188/1189326

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                    The Materials Project. Materials Data on SmCrGe3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1189326.

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                    The Materials Project. Materials Data on SmCrGe3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1189326

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                    The Materials Project. 2020.  
"Materials Data on SmCrGe3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1189326.  https://www.osti.gov/servlets/purl/1189326. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1189326,

  title        = {Materials Data on SmCrGe3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {SmCrGe3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Sm is bonded to twelve equivalent Ge atoms to form distorted SmGe12 cuboctahedra that share corners with six equivalent SmGe12 cuboctahedra, corners with six equivalent CrGe6 octahedra, faces with eight equivalent SmGe12 cuboctahedra, and faces with six equivalent CrGe6 octahedra. The corner-sharing octahedral tilt angles are 27°. There are six shorter (3.08 Å) and six longer (3.23 Å) Sm–Ge bond lengths. Cr is bonded to six equivalent Ge atoms to form CrGe6 octahedra that share corners with six equivalent SmGe12 cuboctahedra, faces with six equivalent SmGe12 cuboctahedra, and faces with two equivalent CrGe6 octahedra. All Cr–Ge bond lengths are 2.49 Å. Ge is bonded in a 8-coordinate geometry to four equivalent Sm, two equivalent Cr, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.59 Å.},

  doi          = {10.17188/1189326},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 16 00:00:00 EDT 2020},

  month        = {Thu Jul 16 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1189326

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