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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on PtF6 by Materials Project

PtF6 is beta Np structured and crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four PtF6 clusters. Pt6+ is bonded in an octahedral geometry to six F1- atoms. All Pt–F bond lengths are 1.90 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Pt6+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Pt6+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Pt6+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Pt6+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PtPbF6 by Materials Project

PtPbF6 crystallizes in the trigonal R-3m 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 PbF12 cuboctahedra and faces with two equivalent PbF12 cuboctahedra. All Pt–F bond lengths are 1.97 Å. Pb2+ is bonded to twelve equivalent F1- atoms to form PbF12 cuboctahedra that share corners with six equivalent PtF6 octahedra, edges with six equivalent PbF12 cuboctahedra, and faces with two equivalent PtF6 octahedra. The corner-sharing octahedral tilt angles are 41°. All Pb–F bond lengths are 2.78 Å. F1- is bonded in a distorted single-bond geometry to one Pt4+ and two equivalent Pb2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CuPtF6 by Materials Project

PtCuF6 is Upper Bainite-derived structured and crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Pt5+ is bonded to six F1- atoms to form PtF6 octahedra that share corners with six CuF6 octahedra. The corner-sharing octahedra tilt angles range from 39–46°. There are a spread of Pt–F bond distances ranging from 1.95–2.00 Å. There are two inequivalent Cu1+ sites. In the first Cu1+ site, Cu1+ is bonded to six F1- atoms to form CuF6 octahedra that share corners with six equivalent PtF6 octahedra. The corner-sharing octahedra tilt angles range from 39–46°. There are a spread of Cu–F bond distances ranging from 1.95–2.17 Å. In the second Cu1+ site, Cu1+ is bonded to six F1- atoms to form CuF6 octahedra that share corners with six equivalent PtF6 octahedra. The corner-sharing octahedra tilt angles range from 41–45°. There are a spread of Cu–F bond distances ranging from 1.97–2.17 Å. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Pt5+ and one Cu1+ atom. In the second F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Pt5+ and one Cu1+ atom. In the third F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Pt5+ and one Cu1+ atom. In the fourth F1- site, F1- is bonded in a distorted bent 120 degrees geometry to one Pt5+ and one Cu1+ atom. In the fifth F1- site, F1- is bonded in a bent 150 degrees geometry to one Pt5+ and one Cu1+ atom. In the sixth F1- site, F1- is bonded in a bent 150 degrees geometry to one Pt5+ and one Cu1+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on K2PtF6 by Materials Project

K2PtF6 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. K1+ is bonded to twelve equivalent F1- atoms to form KF12 cuboctahedra that share corners with six equivalent KF12 cuboctahedra, corners with three equivalent PtF6 octahedra, faces with eight equivalent KF12 cuboctahedra, and faces with three equivalent PtF6 octahedra. The corner-sharing octahedral tilt angles are 21°. There are a spread of K–F bond distances ranging from 2.91–2.98 Å. Pt4+ is bonded to six equivalent F1- atoms to form PtF6 octahedra that share corners with six equivalent KF12 cuboctahedra and faces with six equivalent KF12 cuboctahedra. All Pt–F bond lengths are 1.98 Å. F1- is bonded in a distorted single-bond geometry to four equivalent K1+ and one Pt4+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pt4(O3F8)3 by Materials Project

(PtF6)2PtOF6PtO3F5(O2)2OF crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one hypofluorous acid molecule, two oxygen molecules, two PtF6 clusters, one PtO3F5 cluster, and one PtOF6 cluster. In each PtF6 cluster, Pt is bonded in an octahedral geometry to six F atoms. There are a spread of Pt–F bond distances ranging from 1.90–1.93 Å. There are six inequivalent F sites. In the first F site, F is bonded in a single-bond geometry to one Pt atom. In the second F site, F is bonded in a single-bond geometry to one Pt atom. In the third F site, F is bonded in a single-bond geometry to one Pt atom. In the fourth F site, F is bonded in a single-bond geometry to one Pt atom. In the fifth F site, F is bonded in a single-bond geometry to one Pt atom. In the sixth F site, F is bonded in a single-bond geometry to one Pt atom. In the PtO3F5 cluster, Pt is bonded in an octahedral geometry to one O and five F atoms. The Pt–O bond length is 2.16 Å. There are a spread of Pt–F bond distances ranging from 1.91–2.17 Å. There are three inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to one Pt and one O atom. The O–O bond length is 1.24 Å. In the second O site, O is bonded in a single-bond geometry to one F atom. The O–F bond length is 1.42 Å. In the third O site, O is bonded in a single-bond geometry to one O atom. There are five inequivalent F sites. In the first F site, F is bonded in a bent 120 degrees geometry to one Pt and one O atom. In the second F site, F is bonded in a single-bond geometry to one Pt atom. In the third F site, F is bonded in a single-bond geometry to one Pt atom. In the fourth F site, F is bonded in a single-bond geometry to one Pt atom. In the fifth F site, F is bonded in a single-bond geometry to one Pt atom. In the PtOF6 cluster, Pt is bonded in an octahedral geometry to six F atoms. There are a spread of Pt–F bond distances ranging from 1.91–2.25 Å. O is bonded in a single-bond geometry to one F atom. The O–F bond length is 1.40 Å. There are six inequivalent F sites. In the first F site, F is bonded in a single-bond geometry to one Pt atom. In the second F site, F is bonded in a single-bond geometry to one Pt atom. In the third F site, F is bonded in a bent 120 degrees geometry to one Pt and one O atom. In the fourth F site, F is bonded in a single-bond geometry to one Pt atom. In the fifth F site, F is bonded in a single-bond geometry to one Pt atom. In the sixth F site, F is bonded in a single-bond geometry to one Pt atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on H24PtC8(NF3)2 by Materials Project

PtF6(N(CH3)4)2 is Silicon tetrafluoride-derived structured and crystallizes in the tetragonal I4/m space group. The structure is zero-dimensional and consists of four tetramethylammonium molecules and two PtF6 clusters. In each PtF6 cluster, Pt2- is bonded in an octahedral geometry to six equivalent F1- atoms. All Pt–F bond lengths are 1.98 Å. F1- is bonded in a single-bond geometry to one Pt2- atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Cs2PtF6 by Materials Project

Cs2PtF6 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent F1- atoms to form distorted CsF12 cuboctahedra that share corners with six equivalent CsF12 cuboctahedra, corners with three equivalent PtF6 octahedra, faces with eight equivalent CsF12 cuboctahedra, and faces with three equivalent PtF6 octahedra. The corner-sharing octahedral tilt angles are 19°. There are six shorter (3.21 Å) and six longer (3.28 Å) Cs–F bond lengths. Pt4+ is bonded to six equivalent F1- atoms to form PtF6 octahedra that share corners with six equivalent CsF12 cuboctahedra and faces with six equivalent CsF12 cuboctahedra. All Pt–F bond lengths are 1.98 Å. F1- is bonded in a distorted single-bond geometry to four equivalent Cs1+ and one Pt4+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Rb2PtF6 by Materials Project

Rb2PtF6 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Rb1+ is bonded to twelve equivalent F1- atoms to form RbF12 cuboctahedra that share corners with six equivalent RbF12 cuboctahedra, corners with three equivalent PtF6 octahedra, faces with eight equivalent RbF12 cuboctahedra, and faces with three equivalent PtF6 octahedra. The corner-sharing octahedral tilt angles are 20°. There are nine shorter (3.07 Å) and three longer (3.11 Å) Rb–F bond lengths. Pt4+ is bonded to six equivalent F1- atoms to form PtF6 octahedra that share corners with six equivalent RbF12 cuboctahedra and faces with six equivalent RbF12 cuboctahedra. All Pt–F bond lengths are 1.98 Å. F1- is bonded in a distorted single-bond geometry to four equivalent Rb1+ and one Pt4+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pt(OF3)2 by Materials Project

PtF6O2 is Tetraauricupride structured and crystallizes in the cubic Ia-3 space group. The structure is zero-dimensional and consists of eight oxygen molecules and eight PtF6 clusters. In each PtF6 cluster, Pt is bonded in an octahedral geometry to six equivalent F atoms. All Pt–F bond lengths are 1.92 Å. F is bonded in a single-bond geometry to one Pt atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MnPtF6 by Materials Project

MnPtF6 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Mn2+ is bonded to six equivalent F1- atoms to form MnF6 octahedra that share corners with six equivalent PtF6 octahedra. The corner-sharing octahedral tilt angles are 38°. All Mn–F bond lengths are 2.12 Å. Pt4+ is bonded to six equivalent F1- atoms to form PtF6 octahedra that share corners with six equivalent MnF6 octahedra. The corner-sharing octahedral tilt angles are 38°. All Pt–F bond lengths are 1.98 Å. F1- is bonded in a bent 150 degrees geometry to one Mn2+ and one Pt4+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NiPtF6 by Materials Project

PtNiF6 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 NiF6 octahedra. The corner-sharing octahedral tilt angles are 43°. All Pt–F bond lengths are 1.97 Å. Ni2+ is bonded to six equivalent F1- atoms to form NiF6 octahedra that share corners with six equivalent PtF6 octahedra. The corner-sharing octahedral tilt angles are 43°. All Ni–F bond lengths are 2.02 Å. F1- is bonded in a distorted bent 150 degrees geometry to one Pt4+ and one Ni2+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CdPtF6 by Materials Project

PtCdF6 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 CdF6 octahedra. The corner-sharing octahedral tilt angles are 45°. All Pt–F bond lengths are 1.97 Å. Cd2+ is bonded to six equivalent F1- atoms to form CdF6 octahedra that share corners with six equivalent PtF6 octahedra. The corner-sharing octahedral tilt angles are 45°. All Cd–F bond lengths are 2.27 Å. F1- is bonded in a distorted bent 150 degrees geometry to one Pt4+ and one Cd2+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PtXeF11 by Materials Project

XeF5PtF6 crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four PtF6 clusters and four XeF5 clusters. In each PtF6 cluster, Pt is bonded in an octahedral geometry to six F atoms. There are a spread of Pt–F bond distances ranging from 1.90–1.96 Å. There are five inequivalent F sites. In the first F site, F is bonded in a single-bond geometry to one Pt atom. In the second F site, F is bonded in a single-bond geometry to one Pt atom. In the third F site, F is bonded in a single-bond geometry to one Pt atom. In the fourth F site, F is bonded in a single-bond geometry to one Pt atom. In the fifth F site, F is bonded in a single-bond geometry to one Pt atom. In each XeF5 cluster, Xe is bonded in a distorted square pyramidal geometry to five F atoms. There is two shorter (1.98 Å) and three longer (1.99 Å) Xe–F bond length. There are three inequivalent F sites. In the first F site, F is bonded in a single-bond geometry to one Xe atom. In the second F site, F is bonded in a single-bond geometry to one Xe atom. In the third F site, F is bonded in a single-bond geometry to one Xe atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CaPtF6 by Materials Project

CaPtF6 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Ca2+ is bonded to six equivalent F1- atoms to form CaF6 octahedra that share corners with six equivalent PtF6 octahedra. The corner-sharing octahedral tilt angles are 40°. All Ca–F bond lengths are 2.29 Å. Pt4+ is bonded to six equivalent F1- atoms to form PtF6 octahedra that share corners with six equivalent CaF6 octahedra. The corner-sharing octahedral tilt angles are 40°. All Pt–F bond lengths are 1.97 Å. F1- is bonded in a bent 150 degrees geometry to one Ca2+ and one Pt4+ atom.

36 MATERIALS SCIENCE↗
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 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↗