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DOE OSTI · 1712407

Materials Data on BaAlGeF by Materials Project

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Abstract

BaAlGeF is Parent of FeAs superconductors structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Ba is bonded in a 4-coordinate geometry to four equivalent Ge and four equivalent F atoms. All Ba–Ge bond lengths are 3.54 Å. All Ba–F bond lengths are 2.66 Å. Al is bonded to four equivalent Ge atoms to form a mixture of corner and edge-sharing AlGe4 tetrahedra. All Al–Ge bond lengths are 2.64 Å. Ge is bonded in a 8-coordinate geometry to four equivalent Ba and four equivalent Al atoms. F is bonded to four equivalent Ba atoms to form a mixture of corner and edge-sharing FBa4 tetrahedra.

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36 MATERIALS SCIENCEAl-Ba-F-GeBaAlGeFcrystal structure

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2020-05-03. Materials Data on BaAlGeF by Materials Project. https://doi.org/10.17188/1712407

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