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Materials Data on DyPaO3 by Materials Project

PaDyO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Pa3+ is bonded to twelve equivalent O2- atoms to form PaO12 cuboctahedra that share corners with twelve equivalent PaO12 cuboctahedra, faces with six equivalent PaO12 cuboctahedra, and faces with eight equivalent DyO6 octahedra. All Pa–O bond lengths are 3.05 Å. Dy3+ is bonded to six equivalent O2- atoms to form DyO6 octahedra that share corners with six equivalent DyO6 octahedra and faces with eight equivalent PaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Dy–O bond lengths are 2.15 Å. O2- is bonded in a linear geometry to four equivalent Pa3+ and two equivalent Dy3+ atoms.

36 MATERIALS SCIENCE↗

Materials Data on DyPaO4 by Materials Project

PaDyO4 is Fluorite-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Pa5+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Pa–O bond lengths are 2.30 Å. Dy3+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Dy–O bond lengths are 2.37 Å. O2- is bonded to two equivalent Pa5+ and two equivalent Dy3+ atoms to form a mixture of edge and corner-sharing ODy2Pa2 tetrahedra.

36 MATERIALS SCIENCE↗