Materials Data on Na2H6Ir by Materials Project

doi:10.17188/1354992

Title: Materials Data on Na2H6Ir by Materials Project

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Abstract

Na2IrH6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Na1+ is bonded to twelve equivalent H1- atoms to form NaH12 cuboctahedra that share corners with twelve equivalent NaH12 cuboctahedra, faces with six equivalent NaH12 cuboctahedra, and faces with four equivalent IrH6 octahedra. All Na–H bond lengths are 2.62 Å. Ir4+ is bonded to six equivalent H1- atoms to form IrH6 octahedra that share faces with eight equivalent NaH12 cuboctahedra. All Ir–H bond lengths are 1.69 Å. H1- is bonded to four equivalent Na1+ and one Ir4+ atom to form a mixture of face, edge, and corner-sharing HNa4Ir square pyramids.

Authors:: The Materials Project

Publication Date:: 2020-07-22

Other Number(s):: mp-1022729

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; Na2H6Ir; H-Ir-Na

OSTI Identifier:: 1354992

DOI:: https://doi.org/10.17188/1354992

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                    The Materials Project. Materials Data on Na2H6Ir by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1354992.

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                    The Materials Project. Materials Data on Na2H6Ir by Materials Project.  United States.  doi:https://doi.org/10.17188/1354992

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                    The Materials Project. 2020.  
"Materials Data on Na2H6Ir by Materials Project".  United States.  doi:https://doi.org/10.17188/1354992.  https://www.osti.gov/servlets/purl/1354992. Pub date:Wed Jul 22 00:00:00 EDT 2020

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@article{osti_1354992,

  title        = {Materials Data on Na2H6Ir by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Na2IrH6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Na1+ is bonded to twelve equivalent H1- atoms to form NaH12 cuboctahedra that share corners with twelve equivalent NaH12 cuboctahedra, faces with six equivalent NaH12 cuboctahedra, and faces with four equivalent IrH6 octahedra. All Na–H bond lengths are 2.62 Å. Ir4+ is bonded to six equivalent H1- atoms to form IrH6 octahedra that share faces with eight equivalent NaH12 cuboctahedra. All Ir–H bond lengths are 1.69 Å. H1- is bonded to four equivalent Na1+ and one Ir4+ atom to form a mixture of face, edge, and corner-sharing HNa4Ir square pyramids.},

  doi          = {10.17188/1354992},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1354992

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