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DOE OSTI2020

Materials Data on BaCd2Pt by Materials Project

BaPtCd2 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 Cd atoms. There are one shorter (3.20 Å) and two longer (3.35 Å) Ba–Pt bond lengths. There are a spread of Ba–Cd bond distances ranging from 3.58–3.75 Å. Pt is bonded in a 9-coordinate geometry to three equivalent Ba and six equivalent Cd atoms. There are four shorter (2.89 Å) and two longer (2.91 Å) Pt–Cd bond lengths. Cd 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(Cd2Pt)2 by Materials Project

Ba(PtCd2)2 crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. Ba is bonded to six equivalent Pt atoms to form a mixture of distorted edge and corner-sharing BaPt6 octahedra. The corner-sharing octahedral tilt angles are 40°. There are two shorter (3.37 Å) and four longer (3.50 Å) Ba–Pt bond lengths. Pt is bonded in a 9-coordinate geometry to three equivalent Ba and six equivalent Cd atoms. There are four shorter (2.83 Å) and two longer (2.85 Å) Pt–Cd bond lengths. Cd is bonded in a distorted trigonal non-coplanar geometry to three equivalent Pt atoms.

36 MATERIALS SCIENCE↗