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All sourcesNASA NTRSDOE OSTI
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 Tb2(GePt3)3 by Materials Project

Tb2(Pt3Ge)3 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Tb3+ is bonded in a 11-coordinate geometry to eleven Pt2- atoms. There are a spread of Tb–Pt bond distances ranging from 2.97–3.21 Å. There are five inequivalent Pt2- sites. In the first Pt2- site, Pt2- is bonded in a 2-coordinate geometry to two equivalent Tb3+ and two equivalent Ge4+ atoms. Both Pt–Ge bond lengths are 2.49 Å. In the second Pt2- site, Pt2- is bonded in a 12-coordinate geometry to three equivalent Tb3+ and three Ge4+ atoms. There are a spread of Pt–Ge bond distances ranging from 2.53–2.75 Å. In the third Pt2- site, Pt2- is bonded in a 12-coordinate geometry to three equivalent Tb3+ and three Ge4+ atoms. There are one shorter (2.57 Å) and two longer (2.71 Å) Pt–Ge bond lengths. In the fourth Pt2- site, Pt2- is bonded in a 2-coordinate geometry to two equivalent Tb3+ and two Ge4+ atoms. There are one shorter (2.47 Å) and one longer (2.51 Å) Pt–Ge bond lengths. In the fifth Pt2- site, Pt2- is bonded in a 3-coordinate geometry to two equivalent Tb3+ and three Ge4+ atoms. There are a spread of Pt–Ge bond distances ranging from 2.65–2.93 Å. There are two inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded in a 8-coordinate geometry to eight Pt2- atoms. In the second Ge4+ site, Ge4+ is bonded in a distorted hexagonal bipyramidal geometry to eight Pt2- atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ho2(GePt3)3 by Materials Project

Ho2(Pt3Ge)3 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Ho3+ is bonded in a 11-coordinate geometry to eleven Pt2- atoms. There are a spread of Ho–Pt bond distances ranging from 2.97–3.19 Å. There are five inequivalent Pt2- sites. In the first Pt2- site, Pt2- is bonded in a 12-coordinate geometry to three equivalent Ho3+ and three Ge4+ atoms. There are a spread of Pt–Ge bond distances ranging from 2.53–2.74 Å. In the second Pt2- site, Pt2- is bonded in a 12-coordinate geometry to three equivalent Ho3+ and three Ge4+ atoms. There are one shorter (2.56 Å) and two longer (2.71 Å) Pt–Ge bond lengths. In the third Pt2- site, Pt2- is bonded in a 2-coordinate geometry to two equivalent Ho3+ and two equivalent Ge4+ atoms. Both Pt–Ge bond lengths are 2.48 Å. In the fourth Pt2- site, Pt2- is bonded in a 2-coordinate geometry to two equivalent Ho3+ and two Ge4+ atoms. There are one shorter (2.47 Å) and one longer (2.49 Å) Pt–Ge bond lengths. In the fifth Pt2- site, Pt2- is bonded in a 3-coordinate geometry to two equivalent Ho3+ and three Ge4+ atoms. There are a spread of Pt–Ge bond distances ranging from 2.64–2.91 Å. There are two inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded in a 8-coordinate geometry to eight Pt2- atoms. In the second Ge4+ site, Ge4+ is bonded in a distorted hexagonal bipyramidal geometry to eight Pt2- atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Dy2(GePt3)3 by Materials Project

Dy2(Pt3Ge)3 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Dy3+ is bonded in a 11-coordinate geometry to eleven Pt2- atoms. There are a spread of Dy–Pt bond distances ranging from 2.97–3.21 Å. There are five inequivalent Pt2- sites. In the first Pt2- site, Pt2- is bonded in a 5-coordinate geometry to two equivalent Dy3+ and three Ge4+ atoms. There are a spread of Pt–Ge bond distances ranging from 2.64–2.88 Å. In the second Pt2- site, Pt2- is bonded in a 12-coordinate geometry to three equivalent Dy3+ and three Ge4+ atoms. There are one shorter (2.56 Å) and two longer (2.70 Å) Pt–Ge bond lengths. In the third Pt2- site, Pt2- is bonded in a 12-coordinate geometry to three equivalent Dy3+ and three Ge4+ atoms. There are a spread of Pt–Ge bond distances ranging from 2.53–2.73 Å. In the fourth Pt2- site, Pt2- is bonded in a 2-coordinate geometry to two equivalent Dy3+ and two Ge4+ atoms. There are one shorter (2.48 Å) and one longer (2.50 Å) Pt–Ge bond lengths. In the fifth Pt2- site, Pt2- is bonded in a 2-coordinate geometry to two equivalent Dy3+ and two equivalent Ge4+ atoms. Both Pt–Ge bond lengths are 2.49 Å. There are two inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded in a 8-coordinate geometry to eight Pt2- atoms. In the second Ge4+ site, Ge4+ is bonded in a distorted hexagonal bipyramidal geometry to eight Pt2- atoms.

36 MATERIALS SCIENCE↗