Materials Data on Sc4Ge6Os7 by Materials Project

doi:10.17188/1752822

Title: Materials Data on Sc4Ge6Os7 by Materials Project

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Abstract

Sc4Os7Ge6 crystallizes in the cubic Im-3m space group. The structure is three-dimensional. Sc is bonded to six equivalent Os and six equivalent Ge atoms to form ScGe6Os6 cuboctahedra that share corners with twelve equivalent ScGe6Os6 cuboctahedra, faces with six equivalent ScGe6Os6 cuboctahedra, and faces with two equivalent OsGe6 octahedra. All Sc–Os bond lengths are 2.89 Å. All Sc–Ge bond lengths are 2.93 Å. There are two inequivalent Os sites. In the first Os site, Os is bonded to six equivalent Ge atoms to form OsGe6 octahedra that share faces with eight equivalent ScGe6Os6 cuboctahedra. All Os–Ge bond lengths are 2.50 Å. In the second Os site, Os is bonded in a 12-coordinate geometry to four equivalent Sc and four equivalent Ge atoms. All Os–Ge bond lengths are 2.59 Å. Ge is bonded in a 9-coordinate geometry to four equivalent Sc and five Os atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1188761

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; Sc4Ge6Os7; Ge-Os-Sc

OSTI Identifier:: 1752822

DOI:: https://doi.org/10.17188/1752822

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                    The Materials Project. Materials Data on Sc4Ge6Os7 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1752822.

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                    The Materials Project. Materials Data on Sc4Ge6Os7 by Materials Project.  United States.  doi:https://doi.org/10.17188/1752822

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                    The Materials Project. 2020.  
"Materials Data on Sc4Ge6Os7 by Materials Project".  United States.  doi:https://doi.org/10.17188/1752822.  https://www.osti.gov/servlets/purl/1752822. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1752822,

  title        = {Materials Data on Sc4Ge6Os7 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Sc4Os7Ge6 crystallizes in the cubic Im-3m space group. The structure is three-dimensional. Sc is bonded to six equivalent Os and six equivalent Ge atoms to form ScGe6Os6 cuboctahedra that share corners with twelve equivalent ScGe6Os6 cuboctahedra, faces with six equivalent ScGe6Os6 cuboctahedra, and faces with two equivalent OsGe6 octahedra. All Sc–Os bond lengths are 2.89 Å. All Sc–Ge bond lengths are 2.93 Å. There are two inequivalent Os sites. In the first Os site, Os is bonded to six equivalent Ge atoms to form OsGe6 octahedra that share faces with eight equivalent ScGe6Os6 cuboctahedra. All Os–Ge bond lengths are 2.50 Å. In the second Os site, Os is bonded in a 12-coordinate geometry to four equivalent Sc and four equivalent Ge atoms. All Os–Ge bond lengths are 2.59 Å. Ge is bonded in a 9-coordinate geometry to four equivalent Sc and five Os atoms.},

  doi          = {10.17188/1752822},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1752822

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