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DOE OSTI · 1276085

Materials Data on BaAlSiH by Materials Project

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Abstract

BaAlSiH crystallizes in the trigonal P3m1 space group. The structure is three-dimensional. Ba2+ is bonded in a distorted trigonal non-coplanar geometry to three equivalent Si4- and three equivalent H1- atoms. All Ba–Si bond lengths are 3.47 Å. All Ba–H bond lengths are 2.60 Å. Al3+ is bonded in a distorted single-bond geometry to three equivalent Si4- and one H1- atom. All Al–Si bond lengths are 2.54 Å. The Al–H bond length is 1.74 Å. Si4- is bonded in a 3-coordinate geometry to three equivalent Ba2+ and three equivalent Al3+ atoms. H1- is bonded to three equivalent Ba2+ and one Al3+ atom to form corner-sharing HBa3Al tetrahedra.

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36 MATERIALS SCIENCEAl-Ba-H-SiBaAlSiHcrystal structure

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2020-07-14. Materials Data on BaAlSiH by Materials Project. https://doi.org/10.17188/1276085

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