Materials Data on Ca2H6Os by Materials Project

doi:10.17188/1741937

Title: Materials Data on Ca2H6Os by Materials Project

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Abstract

Ca2OsH6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ca2+ is bonded to twelve equivalent H+0.33- atoms to form CaH12 cuboctahedra that share corners with twelve equivalent CaH12 cuboctahedra, faces with six equivalent CaH12 cuboctahedra, and faces with four equivalent OsH6 octahedra. All Ca–H bond lengths are 2.56 Å. Os2- is bonded to six equivalent H+0.33- atoms to form OsH6 octahedra that share faces with eight equivalent CaH12 cuboctahedra. All Os–H bond lengths are 1.73 Å. H+0.33- is bonded to four equivalent Ca2+ and one Os2- atom to form a mixture of face, edge, and corner-sharing HCa4Os square pyramids.

Authors:: The Materials Project

Publication Date:: 2020-05-09

Other Number(s):: mp-1207196

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; Ca2H6Os; Ca-H-Os

OSTI Identifier:: 1741937

DOI:: https://doi.org/10.17188/1741937

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                    The Materials Project. Materials Data on Ca2H6Os by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1741937.

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                    The Materials Project. Materials Data on Ca2H6Os by Materials Project.  United States.  doi:https://doi.org/10.17188/1741937

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                    The Materials Project. 2020.  
"Materials Data on Ca2H6Os by Materials Project".  United States.  doi:https://doi.org/10.17188/1741937.  https://www.osti.gov/servlets/purl/1741937. Pub date:Sat May 09 00:00:00 EDT 2020

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@article{osti_1741937,

  title        = {Materials Data on Ca2H6Os by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ca2OsH6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ca2+ is bonded to twelve equivalent H+0.33- atoms to form CaH12 cuboctahedra that share corners with twelve equivalent CaH12 cuboctahedra, faces with six equivalent CaH12 cuboctahedra, and faces with four equivalent OsH6 octahedra. All Ca–H bond lengths are 2.56 Å. Os2- is bonded to six equivalent H+0.33- atoms to form OsH6 octahedra that share faces with eight equivalent CaH12 cuboctahedra. All Os–H bond lengths are 1.73 Å. H+0.33- is bonded to four equivalent Ca2+ and one Os2- atom to form a mixture of face, edge, and corner-sharing HCa4Os square pyramids.},

  doi          = {10.17188/1741937},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1741937

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