Materials Data on Sr2FeH6 by Materials Project

doi:10.17188/1752589

Title: Materials Data on Sr2FeH6 by Materials Project

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Abstract

Sr2FeH6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sr2+ is bonded to twelve equivalent H1- atoms to form SrH12 cuboctahedra that share corners with twelve equivalent SrH12 cuboctahedra, faces with six equivalent SrH12 cuboctahedra, and faces with four equivalent FeH6 octahedra. All Sr–H bond lengths are 2.65 Å. Fe2+ is bonded to six equivalent H1- atoms to form FeH6 octahedra that share faces with eight equivalent SrH12 cuboctahedra. All Fe–H bond lengths are 1.62 Å. H1- is bonded in a distorted single-bond geometry to four equivalent Sr2+ and one Fe2+ atom.

Authors:: The Materials Project

Publication Date:: 2020-05-09

Other Number(s):: mp-1078746

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; Sr2FeH6; Fe-H-Sr

OSTI Identifier:: 1752589

DOI:: https://doi.org/10.17188/1752589

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                    The Materials Project. Materials Data on Sr2FeH6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1752589.

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                    The Materials Project. Materials Data on Sr2FeH6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1752589

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                    The Materials Project. 2020.  
"Materials Data on Sr2FeH6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1752589.  https://www.osti.gov/servlets/purl/1752589. Pub date:Sat May 09 00:00:00 EDT 2020

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@article{osti_1752589,

  title        = {Materials Data on Sr2FeH6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Sr2FeH6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sr2+ is bonded to twelve equivalent H1- atoms to form SrH12 cuboctahedra that share corners with twelve equivalent SrH12 cuboctahedra, faces with six equivalent SrH12 cuboctahedra, and faces with four equivalent FeH6 octahedra. All Sr–H bond lengths are 2.65 Å. Fe2+ is bonded to six equivalent H1- atoms to form FeH6 octahedra that share faces with eight equivalent SrH12 cuboctahedra. All Fe–H bond lengths are 1.62 Å. H1- is bonded in a distorted single-bond geometry to four equivalent Sr2+ and one Fe2+ atom.},

  doi          = {10.17188/1752589},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1752589

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