Materials Data on AlFe3H by Materials Project

doi:10.17188/1742105

Title: Materials Data on AlFe3H by Materials Project

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Abstract

Fe3AlH is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Fe is bonded in a linear geometry to four equivalent Al and two equivalent H atoms. All Fe–Al bond lengths are 2.60 Å. Both Fe–H bond lengths are 1.84 Å. Al is bonded to twelve equivalent Fe atoms to form AlFe12 cuboctahedra that share corners with twelve equivalent AlFe12 cuboctahedra, faces with six equivalent AlFe12 cuboctahedra, and faces with eight equivalent HFe6 octahedra. H is bonded to six equivalent Fe atoms to form HFe6 octahedra that share corners with six equivalent HFe6 octahedra and faces with eight equivalent AlFe12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

Authors:: The Materials Project

Publication Date:: Sun May 03 00:00:00 EDT 2020

Other Number(s):: mp-1206123

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; AlFe3H; Al-Fe-H

OSTI Identifier:: 1742105

DOI:: https://doi.org/10.17188/1742105

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                    The Materials Project. Materials Data on AlFe3H by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1742105.

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                    The Materials Project. Materials Data on AlFe3H by Materials Project.  United States.  doi:https://doi.org/10.17188/1742105

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                    The Materials Project. 2020.  
"Materials Data on AlFe3H by Materials Project".  United States.  doi:https://doi.org/10.17188/1742105.  https://www.osti.gov/servlets/purl/1742105. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1742105,

  title        = {Materials Data on AlFe3H by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Fe3AlH is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Fe is bonded in a linear geometry to four equivalent Al and two equivalent H atoms. All Fe–Al bond lengths are 2.60 Å. Both Fe–H bond lengths are 1.84 Å. Al is bonded to twelve equivalent Fe atoms to form AlFe12 cuboctahedra that share corners with twelve equivalent AlFe12 cuboctahedra, faces with six equivalent AlFe12 cuboctahedra, and faces with eight equivalent HFe6 octahedra. H is bonded to six equivalent Fe atoms to form HFe6 octahedra that share corners with six equivalent HFe6 octahedra and faces with eight equivalent AlFe12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.},

  doi          = {10.17188/1742105},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sun May 03 00:00:00 EDT 2020},

  month        = {Sun May 03 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1742105

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