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DOE OSTI2020

Materials Data on PbF2 by Materials Project

PbF2 is Cotunnite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Pb2+ is bonded in a 7-coordinate geometry to seven F1- atoms. There are a spread of Pb–F bond distances ranging from 2.43–2.67 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded to four equivalent Pb2+ atoms to form a mixture of edge and corner-sharing FPb4 tetrahedra. In the second F1- site, F1- is bonded in a distorted trigonal non-coplanar geometry to three equivalent Pb2+ atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on PbF2 by Materials Project

PbF2 is Fluorite structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Pb2+ is bonded in a body-centered cubic geometry to eight equivalent F1- atoms. All Pb–F bond lengths are 2.60 Å. F1- is bonded to four equivalent Pb2+ atoms to form a mixture of edge and corner-sharing FPb4 tetrahedra.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on PbF4 by Materials Project

PbF4 crystallizes in the tetragonal I4/mmm space group. The structure is two-dimensional and consists of two PbF4 sheets oriented in the (0, 0, 1) direction. Pb4+ is bonded to six F1- atoms to form corner-sharing PbF6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are two shorter (2.00 Å) and four longer (2.19 Å) Pb–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Pb4+ atom. In the second F1- site, F1- is bonded in a linear geometry to two equivalent Pb4+ atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on PbF2 by Materials Project

PbF2 is Fluorite structured and crystallizes in the orthorhombic Aea2 space group. The structure is three-dimensional. Pb2+ is bonded in a body-centered cubic geometry to eight equivalent F1- atoms. There are a spread of Pb–F bond distances ranging from 2.54–2.72 Å. F1- is bonded to four equivalent Pb2+ atoms to form a mixture of corner and edge-sharing FPb4 tetrahedra.

36 MATERIALS SCIENCE↗