Materials Data on Dy2Ge2O5 by Materials Project

Abstract

Dy2Ge2O5 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Dy3+ is bonded in a 5-coordinate geometry to five O2- atoms. There are four shorter (2.18 Å) and one longer (2.33 Å) Dy–O bond lengths. There are two inequivalent Ge2+ sites. In the first Ge2+ site, Ge2+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Ge–O bond lengths are 2.21 Å. In the second Ge2+ site, Ge2+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Ge–O bond lengths are 2.61 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Dy3+ and two equivalent Ge2+ atoms to form ODy2Ge2 tetrahedra that share corners with two equivalent ODy2Ge4 octahedra, corners with ten equivalent ODy2Ge2 tetrahedra, and edges with five equivalent ODy2Ge2 tetrahedra. The corner-sharing octahedral tilt angles are 58°. In the second O2- site, O2- is bonded to two equivalent Dy3+ and four equivalent Ge2+ atoms to form ODy2Ge4 octahedra that share corners with four equivalent ODy2Ge4 octahedra, corners with eight equivalent ODy2Ge2 tetrahedra, and edges with four equivalent ODy2Ge4 octahedra. The corner-sharing octahedral tilt angles are 0°.