Materials Data on Sr2P3Pb3O13 by Materials Project

Sr2Pb3P3O13 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. Sr2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.57–2.89 Å. Pb+2.67+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Pb–O bond distances ranging from 2.34–2.69 Å. P+4.67+ is bonded in a tetrahedral geometry to four O2- atoms. There is one shorter (1.54 Å) and three longer (1.57 Å) P–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Sr2+ and one P+4.67+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Sr2+, one Pb+2.67+, and one P+4.67+ atom. In the third O2- site, O2- is bonded in a trigonal planar geometry to three equivalent Pb+2.67+ atoms. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to one Sr2+, two equivalent Pb+2.67+, and one P+4.67+ atom.