Materials Data on CaOs3 by Materials Project

doi:10.17188/1729079

Title: Materials Data on CaOs3 by Materials Project

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Abstract

CaOs3 is Uranium Silicide-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ca2+ is bonded to twelve equivalent Os+0.67- atoms to form a mixture of face and corner-sharing CaOs12 cuboctahedra. There are six shorter (2.89 Å) and six longer (2.90 Å) Ca–Os bond lengths. Os+0.67- is bonded in a distorted see-saw-like geometry to four equivalent Ca2+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1183599

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; CaOs3; Ca-Os

OSTI Identifier:: 1729079

DOI:: https://doi.org/10.17188/1729079

Citation Formats


                    The Materials Project. Materials Data on CaOs3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1729079.

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                    The Materials Project. Materials Data on CaOs3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1729079

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                    The Materials Project. 2020.  
"Materials Data on CaOs3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1729079.  https://www.osti.gov/servlets/purl/1729079. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1729079,

  title        = {Materials Data on CaOs3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {CaOs3 is Uranium Silicide-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ca2+ is bonded to twelve equivalent Os+0.67- atoms to form a mixture of face and corner-sharing CaOs12 cuboctahedra. There are six shorter (2.89 Å) and six longer (2.90 Å) Ca–Os bond lengths. Os+0.67- is bonded in a distorted see-saw-like geometry to four equivalent Ca2+ atoms.},

  doi          = {10.17188/1729079},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1729079

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