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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Ge2Pt by Materials Project

PtGe2 is zeta iron carbide structured and crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. Pt is bonded to six equivalent Ge atoms to form a mixture of distorted edge and corner-sharing PtGe6 octahedra. The corner-sharing octahedral tilt angles are 55°. There are two shorter (2.54 Å) and four longer (2.57 Å) Pt–Ge bond lengths. Ge is bonded in a 4-coordinate geometry to three equivalent Pt and three equivalent Ge atoms. There are one shorter (2.53 Å) and two longer (2.98 Å) Ge–Ge bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on GePt3 by Materials Project

Pt3Ge crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are three inequivalent Pt+0.67- sites. In the first Pt+0.67- site, Pt+0.67- is bonded in a distorted water-like geometry to four equivalent Pt+0.67- and two equivalent Ge2+ atoms. All Pt–Pt bond lengths are 2.85 Å. Both Pt–Ge bond lengths are 2.54 Å. In the second Pt+0.67- site, Pt+0.67- is bonded to eight Pt+0.67- and four equivalent Ge2+ atoms to form a mixture of distorted corner and face-sharing PtGe4Pt8 cuboctahedra. All Pt–Pt bond lengths are 2.85 Å. All Pt–Ge bond lengths are 2.80 Å. In the third Pt+0.67- site, Pt+0.67- is bonded in a distorted water-like geometry to four equivalent Pt+0.67- and two equivalent Ge2+ atoms. There are one shorter (2.53 Å) and one longer (2.54 Å) Pt–Ge bond lengths. Ge2+ is bonded in a 12-coordinate geometry to eight Pt+0.67- atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on GePt2 by Materials Project

Pt2Ge crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are two inequivalent Pt2- sites. In the first Pt2- site, Pt2- is bonded in a 5-coordinate geometry to five Ge4+ atoms. There are one shorter (2.58 Å) and four longer (2.77 Å) Pt–Ge bond lengths. In the second Pt2- site, Pt2- is bonded to four Ge4+ atoms to form a mixture of distorted edge and corner-sharing PtGe4 tetrahedra. There are two shorter (2.46 Å) and two longer (2.61 Å) Pt–Ge bond lengths. There are two inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded in a 9-coordinate geometry to nine Pt2- atoms. In the second Ge4+ site, Ge4+ is bonded in a 9-coordinate geometry to nine Pt2- atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ge3Pt2 by Materials Project

Ge3Pt2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Pt sites. In the first Pt site, Pt is bonded to six Ge atoms to form PtGe6 octahedra that share corners with four equivalent PtGe6 octahedra, a cornercorner with one GeGePt3 tetrahedra, and edges with two equivalent PtGe6 octahedra. The corner-sharing octahedral tilt angles are 55°. There are a spread of Pt–Ge bond distances ranging from 2.52–2.58 Å. In the second Pt site, Pt is bonded in a 6-coordinate geometry to six Ge atoms. There are a spread of Pt–Ge bond distances ranging from 2.53–2.66 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 5-coordinate geometry to five Pt atoms. In the second Ge site, Ge is bonded to three equivalent Pt and one Ge atom to form distorted GeGePt3 tetrahedra that share a cornercorner with one PtGe6 octahedra and corners with six equivalent GeGePt3 tetrahedra. The corner-sharing octahedral tilt angles are 73°. The Ge–Ge bond length is 2.55 Å. In the third Ge site, Ge is bonded in a 5-coordinate geometry to four Pt and one Ge atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on GePt by Materials Project

PtGe is Modderite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Pt2- is bonded in a 6-coordinate geometry to six equivalent Ge2+ atoms. There are a spread of Pt–Ge bond distances ranging from 2.52–2.70 Å. Ge2+ is bonded in a 6-coordinate geometry to six equivalent Pt2- atoms.

36 MATERIALS SCIENCE↗