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All sourcesNASA NTRSDOE OSTI
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 PbF3 by Materials Project

PbF3 crystallizes in the tetragonal P4_2/mcm space group. The structure is three-dimensional. there are two inequivalent Pb sites. In the first Pb site, Pb is bonded to four equivalent F atoms to form distorted corner-sharing PbF4 trigonal pyramids. The corner-sharing octahedral tilt angles are 21°. All Pb–F bond lengths are 2.41 Å. In the second Pb site, Pb is bonded to six F atoms to form corner-sharing PbF6 octahedra. There are four shorter (2.11 Å) and two longer (2.13 Å) Pb–F bond lengths. There are two inequivalent F sites. In the first F site, F is bonded in a single-bond geometry to one Pb atom. In the second F site, F is bonded in a bent 150 degrees geometry to two Pb atoms.

36 MATERIALS SCIENCE↗