Materials Data on Tb2MnCrO6 by Materials Project

Abstract

Tb2CrMnO6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Tb+3.50+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Tb–O bond distances ranging from 2.28–2.68 Å. Cr3+ is bonded to six O2- atoms to form CrO6 octahedra that share corners with six equivalent MnO6 octahedra. The corner-sharing octahedra tilt angles range from 34–38°. There are a spread of Cr–O bond distances ranging from 2.00–2.06 Å. Mn2+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with six equivalent CrO6 octahedra. The corner-sharing octahedra tilt angles range from 34–38°. There are a spread of Mn–O bond distances ranging from 1.94–2.14 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Tb+3.50+, one Cr3+, and one Mn2+ atom. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Tb+3.50+, one Cr3+, and one Mn2+ atom. In the third O2- site, O2- is bonded to two equivalent Tb+3.50+, one Cr3+, and one Mn2+ atom to form distorted corner-sharing OTb2MnCr trigonal pyramids.