Materials Data on DyNbO4 by Materials Project

Abstract

DyNbO4 crystallizes in the tetragonal I4_1/a space group. The structure is three-dimensional. Dy3+ is bonded to eight equivalent O2- atoms to form distorted DyO8 hexagonal bipyramids that share corners with four equivalent NbO8 hexagonal bipyramids, edges with four equivalent DyO8 hexagonal bipyramids, and edges with six equivalent NbO8 hexagonal bipyramids. There are four shorter (2.35 Å) and four longer (2.45 Å) Dy–O bond lengths. Nb5+ is bonded to eight equivalent O2- atoms to form distorted NbO8 hexagonal bipyramids that share corners with four equivalent DyO8 hexagonal bipyramids, edges with four equivalent NbO8 hexagonal bipyramids, and edges with six equivalent DyO8 hexagonal bipyramids. There are four shorter (2.14 Å) and four longer (2.16 Å) Nb–O bond lengths. O2- is bonded to two equivalent Dy3+ and two equivalent Nb5+ atoms to form a mixture of distorted edge and corner-sharing ODy2Nb2 tetrahedra.