Materials Data on Ba2Mn2Se2OF2 by Materials Project

Abstract

(BaF)2Mn2Se2O crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ba2+ is bonded in a 4-coordinate geometry to four equivalent Se2- and four equivalent F1- atoms. All Ba–Se bond lengths are 3.46 Å. All Ba–F bond lengths are 2.68 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 2.18 Å. Se2- is bonded in a 8-coordinate geometry to four equivalent Ba2+ and four equivalent Mn2+ atoms. O2- is bonded in a square co-planar geometry to four equivalent Mn2+ atoms. F1- is bonded to four equivalent Ba2+ atoms to form a mixture of corner and edge-sharing FBa4 tetrahedra.