Materials Data on Eu5P3O12F by Materials Project

Abstract

Eu5(PO4)3F crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. there are two inequivalent Eu2+ sites. In the first Eu2+ site, Eu2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Eu–O bond distances ranging from 2.58–2.95 Å. In the second Eu2+ site, Eu2+ is bonded in a 7-coordinate geometry to six O2- and one F1- atom. There are a spread of Eu–O bond distances ranging from 2.52–2.80 Å. The Eu–F bond length is 2.43 Å. P5+ is bonded in a tetrahedral geometry to four O2- atoms. There is three shorter (1.56 Å) and one longer (1.57 Å) P–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three Eu2+ and one P5+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to three Eu2+ and one P5+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to three Eu2+ and one P5+ atom. F1- is bonded in a trigonal planar geometry to three equivalent Eu2+ atoms.