Materials Data on Eu2Y2O5 by Materials Project

Abstract

Eu2Y2O5 crystallizes in the monoclinic P2 space group. The structure is three-dimensional. there are four inequivalent Eu2+ sites. In the first Eu2+ site, Eu2+ is bonded to five O2- atoms to form a mixture of edge and corner-sharing EuO5 trigonal bipyramids. There are a spread of Eu–O bond distances ranging from 2.35–2.46 Å. In the second Eu2+ site, Eu2+ is bonded to five O2- atoms to form a mixture of edge and corner-sharing EuO5 trigonal bipyramids. There are a spread of Eu–O bond distances ranging from 2.35–2.46 Å. In the third Eu2+ site, Eu2+ is bonded to five O2- atoms to form a mixture of edge and corner-sharing EuO5 trigonal bipyramids. There are a spread of Eu–O bond distances ranging from 2.36–2.47 Å. In the fourth Eu2+ site, Eu2+ is bonded to five O2- atoms to form a mixture of edge and corner-sharing EuO5 trigonal bipyramids. There are a spread of Eu–O bond distances ranging from 2.35–2.46 Å. There are four inequivalent Y3+ sites. In the first Y3+ site, Y3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Y–O bond distances ranging from 2.23–2.81 Å. In the second Y3+ site, Y3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Y–O bond distances ranging from 2.23–2.83 Å. In the third Y3+ site, Y3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Y–O bond distances ranging from 2.23–2.82 Å. In the fourth Y3+ site, Y3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Y–O bond distances ranging from 2.24–2.83 Å. There are twelve inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Eu2+ and two equivalent Y3+ atoms to form OEu4Y2 octahedra that share corners with six OEu2Y2 tetrahedra, edges with two equivalent OEu4Y2 octahedra, and edges with eight OEuY3 tetrahedra. In the second O2- site, O2- is bonded to four equivalent Eu2+ and two equivalent Y3+ atoms to form OEu4Y2 octahedra that share corners with six OEu2Y2 tetrahedra, edges with two equivalent OEu4Y2 octahedra, and edges with eight OEu2Y2 tetrahedra. In the third O2- site, O2- is bonded to two Eu2+ and two equivalent Y3+ atoms to form distorted OEu2Y2 tetrahedra that share corners with two equivalent OEu4Y2 octahedra, corners with eight OEu2Y2 tetrahedra, edges with two equivalent OEu4Y2 octahedra, and edges with two OEuY3 tetrahedra. The corner-sharing octahedra tilt angles range from 44–52°. In the fourth O2- site, O2- is bonded to one Eu2+ and three Y3+ atoms to form distorted OEuY3 tetrahedra that share a cornercorner with one OEu4Y2 octahedra, corners with twelve OEu2Y2 tetrahedra, edges with two equivalent OEu4Y2 octahedra, and an edgeedge with one OEu2Y2 tetrahedra. The corner-sharing octahedral tilt angles are 14°. In the fifth O2- site, O2- is bonded to one Eu2+ and three Y3+ atoms to form distorted OEuY3 tetrahedra that share a cornercorner with one OEu4Y2 octahedra, corners with twelve OEu2Y2 tetrahedra, edges with two equivalent OEu4Y2 octahedra, and an edgeedge with one OEu2Y2 tetrahedra. The corner-sharing octahedral tilt angles are 14°. In the sixth O2- site, O2- is bonded to four equivalent Eu2+ and two equivalent Y3+ atoms to form OEu4Y2 octahedra that share corners with six OEuY3 tetrahedra, edges with two equivalent OEu4Y2 octahedra, and edges with eight OEuY3 tetrahedra. In the seventh O2- site, O2- is bonded to two Eu2+ and two equivalent Y3+ atoms to form distorted OEu2Y2 tetrahedra that share corners with two equivalent OEu4Y2 octahedra, corners with eight OEuY3 tetrahedra, edges with two equivalent OEu4Y2 octahedra, and edges with two OEuY3 tetrahedra. The corner-sharing octahedra tilt angles range from 44–51°. In the eighth O2- site, O2- is bonded to one Eu2+ and three Y3+ atoms to form distorted OEuY3 tetrahedra that share a cornercorner with one OEu4Y2 octahedra, corners with twelve OEu2Y2 tetrahedra, edges with two equivalent OEu4Y2 octahedra, and an edgeedge with one OEu2Y2 tetrahedra. The corner-sharing octahedral tilt angles are 14°. In the ninth O2- site, O2- is bonded to two Eu2+ and two equivalent Y3+ atoms to form distorted OEu2Y2 tetrahedra that share corners with two equivalent OEu4Y2 octahedra, corners with eight OEuY3 tetrahedra, edges with two equivalent OEu4Y2 octahedra, and edges with two OEuY3 tetrahedra. The corner-sharing octahedra tilt angles range from 45–51°. In the tenth O2- site, O2- is bonded to two Eu2+ and two equivalent Y3+ atoms to form distorted OEu2Y2 tetrahedra that share corners with two equivalent OEu4Y2 octahedra, corners with eight OEuY3 tetrahedra, edges with two equivalent OEu4Y2 octahedra, and edges with two OEuY3 tetrahedra. The corner-sharing octahedra tilt angles range from 45–50°. In the eleventh O2- site, O2- is bonded to one Eu2+ and three Y3+ atoms to form distorted OEuY3 tetrahedra that share a cornercorner with one OEu4Y2 octahedra, corners with twelve OEuY3 tetrahedra, edges with two equivalent OEu4Y2 octahedra, and an edgeedge with one OEu2Y2 tetrahedra. The corner-sharing octahedral tilt angles are 14°. In the twelfth O2- site, O2- is bonded to four equivalent Eu2+ and two equivalent Y3+ atoms to form OEu4Y2 octahedra that share corners with six OEuY3 tetrahedra, edges with two equivalent OEu4Y2 octahedra, and edges with eight OEuY3 tetrahedra.