Materials Data on SrPb2I6O7 by Materials Project
SrO7I6(Pb)2 crystallizes in the tetragonal I4_1/amd space group. The structure is one-dimensional and consists of eight lead molecules and four SrO7I6 ribbons oriented in the (0, 0, 1) direction. In each SrO7I6 ribbon, Sr2+ is bonded in an octahedral geometry to six O2- atoms. There are two shorter (2.42 Å) and four longer (2.47 Å) Sr–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to one Sr2+ and one I1+ atom. The O–I bond length is 1.89 Å. In the second O2- site, O2- is bonded in a T-shaped geometry to one Sr2+ and two equivalent I1+ atoms. Both O–I bond lengths are 2.31 Å. In the third O2- site, O2- is bonded in a linear geometry to two equivalent I1+ atoms. Both O–I bond lengths are 2.39 Å. There are two inequivalent I1+ sites. In the first I1+ site, I1+ is bonded in a linear geometry to two O2- atoms. In the second I1+ site, I1+ is bonded in a water-like geometry to two equivalent O2- atoms.