Materials Data on NbOs3 by Materials Project

doi:10.17188/1731876

Title: Materials Data on NbOs3 by Materials Project

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Abstract

NbOs3 crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Nb5+ is bonded in a 6-coordinate geometry to six equivalent Os+1.67- atoms. All Nb–Os bond lengths are 2.91 Å. There are two inequivalent Os+1.67- sites. In the first Os+1.67- site, Os+1.67- is bonded to twelve Os+1.67- atoms to form a mixture of face, edge, and corner-sharing OsOs12 cuboctahedra. There are six shorter (2.67 Å) and six longer (2.78 Å) Os–Os bond lengths. In the second Os+1.67- site, Os+1.67- is bonded to three equivalent Nb5+ and nine Os+1.67- atoms to form OsNb3Os9 cuboctahedra that share corners with eighteen equivalent OsNb3Os9 cuboctahedra, edges with twelve OsOs12 cuboctahedra, and faces with fourteen OsOs12 cuboctahedra. All Os–Os bond lengths are 2.78 Å.

Authors:: The Materials Project

Publication Date:: Sat May 02 00:00:00 EDT 2020

Other Number(s):: mp-1220360

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; NbOs3; Nb-Os

OSTI Identifier:: 1731876

DOI:: https://doi.org/10.17188/1731876

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                    The Materials Project. Materials Data on NbOs3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1731876.

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                    The Materials Project. Materials Data on NbOs3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1731876

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                    The Materials Project. 2020.  
"Materials Data on NbOs3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1731876.  https://www.osti.gov/servlets/purl/1731876. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1731876,

  title        = {Materials Data on NbOs3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {NbOs3 crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Nb5+ is bonded in a 6-coordinate geometry to six equivalent Os+1.67- atoms. All Nb–Os bond lengths are 2.91 Å. There are two inequivalent Os+1.67- sites. In the first Os+1.67- site, Os+1.67- is bonded to twelve Os+1.67- atoms to form a mixture of face, edge, and corner-sharing OsOs12 cuboctahedra. There are six shorter (2.67 Å) and six longer (2.78 Å) Os–Os bond lengths. In the second Os+1.67- site, Os+1.67- is bonded to three equivalent Nb5+ and nine Os+1.67- atoms to form OsNb3Os9 cuboctahedra that share corners with eighteen equivalent OsNb3Os9 cuboctahedra, edges with twelve OsOs12 cuboctahedra, and faces with fourteen OsOs12 cuboctahedra. All Os–Os bond lengths are 2.78 Å.},

  doi          = {10.17188/1731876},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 02 00:00:00 EDT 2020},

  month        = {Sat May 02 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1731876

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