Materials Data on DyNiO3 by Materials Project
DyNiO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Dy3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Dy–O bond distances ranging from 2.26–2.61 Å. Ni3+ is bonded to six O2- atoms to form corner-sharing NiO6 octahedra. The corner-sharing octahedra tilt angles range from 33–34°. There are four shorter (1.95 Å) and two longer (2.05 Å) Ni–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Dy3+ and two equivalent Ni3+ atoms. In the second O2- site, O2- is bonded to two equivalent Dy3+ and two equivalent Ni3+ atoms to form distorted corner-sharing ODy2Ni2 trigonal pyramids.