Materials Data on Eu4PdO7 by Materials Project

Abstract

Eu4PdO7 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are four inequivalent Eu3+ sites. In the first Eu3+ site, Eu3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Eu–O bond distances ranging from 2.31–2.61 Å. In the second Eu3+ site, Eu3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Eu–O bond distances ranging from 2.28–2.89 Å. In the third Eu3+ site, Eu3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Eu–O bond distances ranging from 2.35–2.80 Å. In the fourth Eu3+ site, Eu3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Eu–O bond distances ranging from 2.31–2.66 Å. There are two inequivalent Pd2+ sites. In the first Pd2+ site, Pd2+ is bonded in a square co-planar geometry to four O2- atoms. There are two shorter (2.02 Å) and two longer (2.07 Å) Pd–O bond lengths. In the second Pd2+ site, Pd2+ is bonded in a square co-planar geometry to four O2- atoms. There are two shorter (2.03 Å) and two longer (2.07 Å) Pd–O bond lengths. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded to four Eu3+ and one Pd2+ atom to form distorted OEu4Pd square pyramids that share a cornercorner with one OEu4Pd square pyramid, corners with six OEu4 tetrahedra, an edgeedge with one OEu4Pd square pyramid, and edges with two equivalent OEu4 tetrahedra. In the second O2- site, O2- is bonded to four Eu3+ atoms to form OEu4 tetrahedra that share corners with three equivalent OEu4Pd square pyramids, corners with four OEu4 tetrahedra, and edges with three OEu4 tetrahedra. In the third O2- site, O2- is bonded in a 3-coordinate geometry to four Eu3+ atoms. In the fourth O2- site, O2- is bonded to four Eu3+ atoms to form OEu4 tetrahedra that share corners with four OEu4 tetrahedra, edges with two equivalent OEu4Pd square pyramids, and edges with two OEu4 tetrahedra. In the fifth O2- site, O2- is bonded in a 5-coordinate geometry to three Eu3+ and two Pd2+ atoms. In the sixth O2- site, O2- is bonded in a 5-coordinate geometry to four Eu3+ and one Pd2+ atom. In the seventh O2- site, O2- is bonded to four Eu3+ atoms to form OEu4 tetrahedra that share corners with three equivalent OEu4Pd square pyramids, corners with four OEu4 tetrahedra, and edges with three OEu4 tetrahedra.