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DOE OSTI2020

Materials Data on BaIn2Pt by Materials Project

BaPtIn2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ba is bonded in a 1-coordinate geometry to three equivalent Pt and ten equivalent In atoms. There are one shorter (3.27 Å) and two longer (3.49 Å) Ba–Pt bond lengths. There are a spread of Ba–In bond distances ranging from 3.63–3.78 Å. Pt is bonded in a 9-coordinate geometry to three equivalent Ba and six equivalent In atoms. There are two shorter (2.83 Å) and four longer (2.88 Å) Pt–In bond lengths. In is bonded in a 3-coordinate geometry to five equivalent Ba and three equivalent Pt atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on Ba(InPt)2 by Materials Project

Ba(PtIn)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ba2+ is bonded in a distorted body-centered cubic geometry to eight equivalent Pt2- atoms. All Ba–Pt bond lengths are 3.55 Å. Pt2- is bonded in a 9-coordinate geometry to four equivalent Ba2+, one Pt2-, and four equivalent In1+ atoms. The Pt–Pt bond length is 2.74 Å. All Pt–In bond lengths are 2.80 Å. In1+ is bonded to four equivalent Pt2- atoms to form a mixture of corner and edge-sharing InPt4 tetrahedra.

36 MATERIALS SCIENCE↗