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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on BaGePt by Materials Project

BaPtGe crystallizes in the cubic P2_13 space group. The structure is three-dimensional. Ba is bonded in a 8-coordinate geometry to four equivalent Pt and four equivalent Ge atoms. There are one shorter (3.25 Å) and three longer (3.49 Å) Ba–Pt bond lengths. There are one shorter (3.49 Å) and three longer (3.57 Å) Ba–Ge bond lengths. Pt is bonded in a 7-coordinate geometry to four equivalent Ba and three equivalent Ge atoms. All Pt–Ge bond lengths are 2.47 Å. Ge is bonded in a 3-coordinate geometry to four equivalent Ba and three equivalent Pt atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on BaGe3Pt by Materials Project

BaPtGe3 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Ba is bonded in a 12-coordinate geometry to five equivalent Pt and twelve Ge atoms. There are four shorter (3.61 Å) and one longer (3.67 Å) Ba–Pt bond lengths. There are a spread of Ba–Ge bond distances ranging from 3.43–3.51 Å. Pt is bonded in a 5-coordinate geometry to five equivalent Ba and five Ge atoms. There are four shorter (2.56 Å) and one longer (2.58 Å) Pt–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 2-coordinate geometry to four equivalent Ba, two equivalent Pt, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.77 Å. In the second Ge site, Ge is bonded in a 1-coordinate geometry to four equivalent Ba, one Pt, and four equivalent Ge atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ba(Ge3Pt)4 by Materials Project

Ba(PtGe3)4 crystallizes in the cubic Im-3 space group. The structure is three-dimensional. Ba is bonded to twelve equivalent Ge atoms to form BaGe12 cuboctahedra that share faces with eight equivalent PtGe6 octahedra. All Ba–Ge bond lengths are 3.43 Å. Pt is bonded to six equivalent Ge atoms to form distorted PtGe6 octahedra that share corners with six equivalent PtGe6 octahedra and faces with two equivalent BaGe12 cuboctahedra. The corner-sharing octahedral tilt angles are 60°. All Pt–Ge bond lengths are 2.55 Å. Ge is bonded in a 2-coordinate geometry to one Ba, two equivalent Pt, and two equivalent Ge atoms. There are one shorter (2.53 Å) and one longer (2.70 Å) Ge–Ge bond lengths.

36 MATERIALS SCIENCE↗