Materials Data on SrPbF6 by Materials Project

Abstract

SrPbF6 crystallizes in the tetragonal P4_2/mmc space group. The structure is three-dimensional. Sr2+ is bonded in a distorted q6 geometry to ten F1- atoms. There are two shorter (2.73 Å) and eight longer (2.79 Å) Sr–F bond lengths. Pb4+ is bonded to six F1- atoms to form corner-sharing PbF6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are four shorter (2.08 Å) and two longer (2.15 Å) Pb–F bond lengths. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to two equivalent Sr2+ and one Pb4+ atom. In the second F1- site, F1- is bonded in a linear geometry to two equivalent Sr2+ atoms. In the third F1- site, F1- is bonded in a linear geometry to two equivalent Pb4+ atoms.