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All sourcesNASA NTRSDOE OSTI
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 BaIn3Pt by Materials Project

BaPtIn3 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Ba is bonded in a 12-coordinate geometry to four equivalent Pt and twelve In atoms. All Ba–Pt bond lengths are 3.78 Å. There are a spread of Ba–In bond distances ranging from 3.65–3.87 Å. Pt is bonded in a 5-coordinate geometry to four equivalent Ba and five In atoms. There are one shorter (2.67 Å) and four longer (2.76 Å) Pt–In bond lengths. There are two inequivalent In sites. In the first In site, In is bonded in a distorted bent 120 degrees geometry to four equivalent Ba and two equivalent Pt atoms. In the second In site, In is bonded in a distorted single-bond geometry to four equivalent Ba and one Pt atom.

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↗