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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on TbPrO4 by Materials Project

TbPrO4 is alpha bismuth trifluoride-derived structured and crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Tb4+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are six shorter (2.39 Å) and two longer (2.41 Å) Tb–O bond lengths. Pr4+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Pr–O bond distances ranging from 2.45–2.48 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Tb4+ and two equivalent Pr4+ atoms to form a mixture of edge and corner-sharing OTb2Pr2 tetrahedra. In the second O2- site, O2- is bonded to two equivalent Tb4+ and two equivalent Pr4+ atoms to form a mixture of edge and corner-sharing OTb2Pr2 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TbPrO4 by Materials Project

TbPrO4 is alpha bismuth trifluoride-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Tb4+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Tb–O bond distances ranging from 2.32–2.43 Å. Pr4+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Pr–O bond distances ranging from 2.44–2.60 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to one Tb4+ and three equivalent Pr4+ atoms to form a mixture of edge and corner-sharing OTbPr3 tetrahedra. In the second O2- site, O2- is bonded to one Tb4+ and three equivalent Pr4+ atoms to form a mixture of edge and corner-sharing OTbPr3 tetrahedra. In the third O2- site, O2- is bonded to three equivalent Tb4+ and one Pr4+ atom to form a mixture of distorted edge and corner-sharing OTb3Pr tetrahedra. In the fourth O2- site, O2- is bonded to three equivalent Tb4+ and one Pr4+ atom to form a mixture of distorted edge and corner-sharing OTb3Pr tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TbPrO4 by Materials Project

TbPrO4 is alpha bismuth trifluoride-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Tb4+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Tb–O bond distances ranging from 2.30–2.43 Å. Pr4+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Pr–O bond distances ranging from 2.45–2.60 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to one Tb4+ and three equivalent Pr4+ atoms to form a mixture of edge and corner-sharing OTbPr3 tetrahedra. In the second O2- site, O2- is bonded to one Tb4+ and three equivalent Pr4+ atoms to form a mixture of edge and corner-sharing OTbPr3 tetrahedra. In the third O2- site, O2- is bonded to three equivalent Tb4+ and one Pr4+ atom to form a mixture of distorted edge and corner-sharing OTb3Pr tetrahedra. In the fourth O2- site, O2- is bonded to three equivalent Tb4+ and one Pr4+ atom to form a mixture of distorted edge and corner-sharing OTb3Pr tetrahedra.

36 MATERIALS SCIENCE↗