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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Sr2PrO4 by Materials Project

Sr2PrO4 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Sr2+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Sr–O bond distances ranging from 2.48–3.10 Å. Pr4+ is bonded to six O2- atoms to form edge-sharing PrO6 octahedra. There are two shorter (2.33 Å) and four longer (2.43 Å) Pr–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 Sr2+ and two equivalent Pr4+ atoms. In the second O2- site, O2- is bonded to four equivalent Sr2+ and one Pr4+ atom to form a mixture of distorted corner and edge-sharing OSr4Pr square pyramids.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SrPrO3 by Materials Project

SrPrO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sr2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Sr–O bond distances ranging from 2.53–2.79 Å. Pr4+ is bonded to six O2- atoms to form corner-sharing PrO6 octahedra. The corner-sharing octahedra tilt angles range from 38–44°. There are a spread of Pr–O bond distances ranging from 2.34–2.40 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Sr2+ and two equivalent Pr4+ atoms. In the second O2- site, O2- is bonded to two equivalent Sr2+ and two equivalent Pr4+ atoms to form distorted corner-sharing OSr2Pr2 trigonal pyramids.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SrPr2O4 by Materials Project

SrPr2O4 crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. Sr2+ is bonded in a 7-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.68–3.20 Å. There are two inequivalent Pr3+ sites. In the first Pr3+ site, Pr3+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing PrO6 octahedra. The corner-sharing octahedra tilt angles range from 52–69°. There are a spread of Pr–O bond distances ranging from 2.31–2.54 Å. In the second Pr3+ site, Pr3+ is bonded to six O2- atoms to form a mixture of distorted edge and corner-sharing PrO6 octahedra. The corner-sharing octahedra tilt angles range from 52–69°. There are a spread of Pr–O bond distances ranging from 2.38–2.48 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Sr2+ and three equivalent Pr3+ atoms to form a mixture of distorted edge and corner-sharing OSr2Pr3 trigonal bipyramids. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Sr2+ and three Pr3+ atoms. In the third O2- site, O2- is bonded to two equivalent Sr2+ and three equivalent Pr3+ atoms to form a mixture of edge and corner-sharing OSr2Pr3 square pyramids. In the fourth O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Sr2+ and three Pr3+ atoms.

36 MATERIALS SCIENCE↗