Materials Data on Pr2Mn2Se2O3 by Materials Project

Abstract

Pr2Mn2Se2O3 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Pr3+ is bonded in a 4-coordinate geometry to four equivalent Se2- and four equivalent O2- atoms. All Pr–Se bond lengths are 3.39 Å. All Pr–O bond lengths are 2.39 Å. Mn2+ is bonded in a distorted linear geometry to four equivalent Se2- and two equivalent O2- atoms. All Mn–Se bond lengths are 2.85 Å. Both Mn–O bond lengths are 2.09 Å. Se2- is bonded in a 12-coordinate geometry to four equivalent Pr3+ and four equivalent Mn2+ atoms. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Pr3+ atoms to form a mixture of distorted corner and edge-sharing OPr4 tetrahedra. In the second O2- site, O2- is bonded in a square co-planar geometry to four equivalent Mn2+ atoms.