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.