Materials Data on Sr3PrMn4O12 by Materials Project

Abstract

Sr3PrMn4O12 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Im-3m space group. The structure is three-dimensional. Sr2+ is bonded to twelve equivalent O2- atoms to form SrO12 cuboctahedra that share corners with four equivalent PrO12 cuboctahedra, corners with eight equivalent SrO12 cuboctahedra, faces with two equivalent PrO12 cuboctahedra, faces with four equivalent SrO12 cuboctahedra, and faces with eight equivalent MnO6 octahedra. There are eight shorter (2.75 Å) and four longer (2.80 Å) Sr–O bond lengths. Pr3+ is bonded to twelve equivalent O2- atoms to form PrO12 cuboctahedra that share corners with twelve equivalent SrO12 cuboctahedra, faces with six equivalent SrO12 cuboctahedra, and faces with eight equivalent MnO6 octahedra. All Pr–O bond lengths are 2.69 Å. Mn+3.75+ is bonded to six equivalent O2- atoms to form MnO6 octahedra that share corners with six equivalent MnO6 octahedra, faces with two equivalent PrO12 cuboctahedra, and faces with six equivalent SrO12 cuboctahedra. The corner-sharing octahedral tilt angles are 3°. All Mn–O bond lengths are 1.94 Å. O2- is bonded in a distorted linear geometry to three equivalent Sr2+, one Pr3+, and two equivalent Mn+3.75+ atoms.