Materials Data on Eu5Si3O12F by Materials Project

Abstract

Eu5Si3O12F crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. there are two inequivalent Eu+2.60+ sites. In the first Eu+2.60+ site, Eu+2.60+ is bonded to six O2- and one F1- atom to form distorted EuO6F pentagonal bipyramids that share corners with six equivalent EuO6F pentagonal bipyramids, corners with four equivalent SiO4 tetrahedra, and an edgeedge with one SiO4 tetrahedra. There are a spread of Eu–O bond distances ranging from 2.38–2.77 Å. The Eu–F bond length is 2.44 Å. In the second Eu+2.60+ site, Eu+2.60+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Eu–O bond distances ranging from 2.45–2.89 Å. Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with four equivalent EuO6F pentagonal bipyramids and an edgeedge with one EuO6F pentagonal bipyramid. There are a spread of Si–O bond distances ranging from 1.63–1.66 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to three Eu+2.60+ and one Si4+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to three Eu+2.60+ and one Si4+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to three Eu+2.60+ and one Si4+ atom. F1- is bonded in a trigonal planar geometry to three equivalent Eu+2.60+ atoms.