Materials Data on Mn2CrSbO6 by Materials Project
Mn2CrSbO6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Cr3+ is bonded to six O2- atoms to form CrO6 octahedra that share corners with six equivalent SbO6 octahedra. The corner-sharing octahedra tilt angles range from 38–40°. There are a spread of Cr–O bond distances ranging from 2.02–2.07 Å. Mn2+ is bonded in a 4-coordinate geometry to eight O2- atoms. There are a spread of Mn–O bond distances ranging from 2.16–2.79 Å. Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with six equivalent CrO6 octahedra. The corner-sharing octahedra tilt angles range from 38–40°. There are four shorter (2.01 Å) and two longer (2.03 Å) Sb–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to one Cr3+, three equivalent Mn2+, and one Sb5+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Cr3+, three equivalent Mn2+, and one Sb5+ atom. In the third O2- site, O2- is bonded to one Cr3+, two equivalent Mn2+, and one Sb5+ atom to form distorted corner-sharing OMn2CrSb tetrahedra.