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DOE OSTI2020

Materials Data on PrPaO4 by Materials Project

PaPrO4 is alpha bismuth trifluoride-derived structured and crystallizes in the tetragonal I4_1/amd 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 2.32 Å. Pr3+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Pr–O bond lengths are 2.46 Å. O2- is bonded to two equivalent Pa5+ and two equivalent Pr3+ atoms to form a mixture of edge and corner-sharing OPr2Pa2 tetrahedra.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on PrPaO4 by Materials Project

PaPrO4 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 2.32 Å. Pr3+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Pr–O bond lengths are 2.46 Å. O2- is bonded to two equivalent Pa5+ and two equivalent Pr3+ atoms to form a mixture of edge and corner-sharing OPr2Pa2 tetrahedra.

36 MATERIALS SCIENCE↗