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DOE OSTI2020

Materials Data on ZnPtF6 by Materials Project

PtZnF6 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Pt4+ is bonded to six equivalent F1- atoms to form PtF6 octahedra that share corners with six equivalent ZnF6 octahedra. The corner-sharing octahedral tilt angles are 42°. All Pt–F bond lengths are 1.98 Å. Zn2+ is bonded to six equivalent F1- atoms to form ZnF6 octahedra that share corners with six equivalent PtF6 octahedra. The corner-sharing octahedral tilt angles are 42°. All Zn–F bond lengths are 2.06 Å. F1- is bonded in a bent 150 degrees geometry to one Pt4+ and one Zn2+ atom.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on PdPtF6 by Materials Project

PtPdF6 is Upper Bainite-derived structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Pt4+ is bonded to six equivalent F1- atoms to form PtF6 octahedra that share corners with six equivalent PdF6 octahedra. The corner-sharing octahedral tilt angles are 45°. All Pt–F bond lengths are 1.98 Å. Pd2+ is bonded to six equivalent F1- atoms to form PdF6 octahedra that share corners with six equivalent PtF6 octahedra. The corner-sharing octahedral tilt angles are 45°. All Pd–F bond lengths are 2.18 Å. F1- is bonded in a distorted bent 120 degrees geometry to one Pt4+ and one Pd2+ atom.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on Cs2PtF6 by Materials Project

Cs2PtF6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent F1- atoms to form CsF12 cuboctahedra that share corners with twelve equivalent CsF12 cuboctahedra, faces with six equivalent CsF12 cuboctahedra, and faces with four equivalent PtF6 octahedra. All Cs–F bond lengths are 3.29 Å. Pt4+ is bonded to six equivalent F1- atoms to form PtF6 octahedra that share faces with eight equivalent CsF12 cuboctahedra. All Pt–F bond lengths are 1.98 Å. F1- is bonded in a single-bond geometry to four equivalent Cs1+ and one Pt4+ atom.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on Pt(NF3)2 by Materials Project

PtF6N2 is Fluorite structured and crystallizes in the cubic Fm-3m space group. The structure is zero-dimensional and consists of eight ammonia molecules and four PtF6 clusters. In each PtF6 cluster, Pt4+ is bonded in an octahedral geometry to six equivalent F1- atoms. All Pt–F bond lengths are 1.91 Å. F1- is bonded in a single-bond geometry to one Pt4+ atom.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on LiPtF6 by Materials Project

LiPtF6 is Upper Bainite-derived structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Li1+ is bonded to six equivalent F1- atoms to form LiF6 octahedra that share corners with six equivalent PtF6 octahedra. The corner-sharing octahedral tilt angles are 43°. All Li–F bond lengths are 2.07 Å. Pt5+ is bonded to six equivalent F1- atoms to form PtF6 octahedra that share corners with six equivalent LiF6 octahedra. The corner-sharing octahedral tilt angles are 43°. All Pt–F bond lengths are 1.93 Å. F1- is bonded in a distorted bent 150 degrees geometry to one Li1+ and one Pt5+ atom.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on PtF4 by Materials Project

PtF4 crystallizes in the orthorhombic Fdd2 space group. The structure is three-dimensional. Pt4+ is bonded to six F1- atoms to form corner-sharing PtF6 octahedra. The corner-sharing octahedral tilt angles are 50°. There are a spread of Pt–F bond distances ranging from 1.90–2.08 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Pt4+ atom. In the second F1- site, F1- is bonded in a bent 120 degrees geometry to two equivalent Pt4+ atoms.

36 MATERIALS SCIENCE↗