Materials Data on Sm2GeRu3 by Materials Project

doi:10.17188/1653168

Title: Materials Data on Sm2GeRu3 by Materials Project

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Abstract

Sm2Ru3Ge crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Sm is bonded in a 12-coordinate geometry to four equivalent Sm, nine equivalent Ru, and three equivalent Ge atoms. There are one shorter (3.13 Å) and three longer (3.37 Å) Sm–Sm bond lengths. There are three shorter (3.00 Å) and six longer (3.21 Å) Sm–Ru bond lengths. All Sm–Ge bond lengths are 3.27 Å. Ru is bonded to six equivalent Sm, four equivalent Ru, and two equivalent Ge atoms to form distorted RuSm6Ge2Ru4 cuboctahedra that share corners with four equivalent GeSm6Ru6 cuboctahedra, corners with fourteen equivalent RuSm6Ge2Ru4 cuboctahedra, edges with six equivalent RuSm6Ge2Ru4 cuboctahedra, faces with six equivalent GeSm6Ru6 cuboctahedra, and faces with twelve equivalent RuSm6Ge2Ru4 cuboctahedra. All Ru–Ru bond lengths are 2.80 Å. Both Ru–Ge bond lengths are 2.61 Å. Ge is bonded to six equivalent Sm and six equivalent Ru atoms to form GeSm6Ru6 cuboctahedra that share corners with six equivalent GeSm6Ru6 cuboctahedra, corners with twelve equivalent RuSm6Ge2Ru4 cuboctahedra, edges with six equivalent GeSm6Ru6 cuboctahedra, and faces with eighteen equivalent RuSm6Ge2Ru4 cuboctahedra.

Authors:: The Materials Project

Publication Date:: 2020-07-23

Other Number(s):: mp-1219394

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; Sm2GeRu3; Ge-Ru-Sm

OSTI Identifier:: 1653168

DOI:: https://doi.org/10.17188/1653168

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                    The Materials Project. Materials Data on Sm2GeRu3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1653168.

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                    The Materials Project. Materials Data on Sm2GeRu3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1653168

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                    The Materials Project. 2020.  
"Materials Data on Sm2GeRu3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1653168.  https://www.osti.gov/servlets/purl/1653168. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1653168,

  title        = {Materials Data on Sm2GeRu3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Sm2Ru3Ge crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Sm is bonded in a 12-coordinate geometry to four equivalent Sm, nine equivalent Ru, and three equivalent Ge atoms. There are one shorter (3.13 Å) and three longer (3.37 Å) Sm–Sm bond lengths. There are three shorter (3.00 Å) and six longer (3.21 Å) Sm–Ru bond lengths. All Sm–Ge bond lengths are 3.27 Å. Ru is bonded to six equivalent Sm, four equivalent Ru, and two equivalent Ge atoms to form distorted RuSm6Ge2Ru4 cuboctahedra that share corners with four equivalent GeSm6Ru6 cuboctahedra, corners with fourteen equivalent RuSm6Ge2Ru4 cuboctahedra, edges with six equivalent RuSm6Ge2Ru4 cuboctahedra, faces with six equivalent GeSm6Ru6 cuboctahedra, and faces with twelve equivalent RuSm6Ge2Ru4 cuboctahedra. All Ru–Ru bond lengths are 2.80 Å. Both Ru–Ge bond lengths are 2.61 Å. Ge is bonded to six equivalent Sm and six equivalent Ru atoms to form GeSm6Ru6 cuboctahedra that share corners with six equivalent GeSm6Ru6 cuboctahedra, corners with twelve equivalent RuSm6Ge2Ru4 cuboctahedra, edges with six equivalent GeSm6Ru6 cuboctahedra, and faces with eighteen equivalent RuSm6Ge2Ru4 cuboctahedra.},

  doi          = {10.17188/1653168},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1653168

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