Materials Data on Eu3GaO6 by Materials Project

Abstract

Eu3GaO6 crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. there are two inequivalent Eu3+ sites. In the first Eu3+ site, Eu3+ is bonded to seven O2- atoms to form distorted EuO7 pentagonal bipyramids that share corners with five EuO7 pentagonal bipyramids, corners with three equivalent GaO4 tetrahedra, edges with five EuO7 pentagonal bipyramids, an edgeedge with one GaO4 tetrahedra, and a faceface with one EuO7 pentagonal bipyramid. There are a spread of Eu–O bond distances ranging from 2.27–2.66 Å. In the second Eu3+ site, Eu3+ is bonded to seven O2- atoms to form distorted EuO7 pentagonal bipyramids that share corners with two equivalent EuO7 pentagonal bipyramids, a cornercorner with one GaO4 tetrahedra, edges with eight EuO7 pentagonal bipyramids, and an edgeedge with one GaO4 tetrahedra. There are a spread of Eu–O bond distances ranging from 2.34–2.49 Å. Ga3+ is bonded to four O2- atoms to form GaO4 tetrahedra that share corners with seven EuO7 pentagonal bipyramids and edges with three EuO7 pentagonal bipyramids. There is two shorter (1.87 Å) and two longer (1.89 Å) Ga–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to three Eu3+ and one Ga3+ atom to form a mixture of distorted corner and edge-sharing OEu3Ga trigonal pyramids. In the second O2- site, O2- is bonded to four Eu3+ atoms to form OEu4 tetrahedra that share corners with six OEu3Ga tetrahedra, corners with six equivalent OEu3Ga trigonal pyramids, edges with three equivalent OEu4 tetrahedra, and an edgeedge with one OEu3Ga trigonal pyramid. In the third O2- site, O2- is bonded in a 1-coordinate geometry to four equivalent Eu3+ and one Ga3+ atom. In the fourth O2- site, O2- is bonded to three Eu3+ and one Ga3+ atom to form distorted OEu3Ga tetrahedra that share corners with eight equivalent OEu4 tetrahedra, corners with four equivalent OEu3Ga trigonal pyramids, and edges with two equivalent OEu3Ga trigonal pyramids.