Materials Data on YMnCrO5 by Materials Project
YCrMnO5 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Y3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Y–O bond distances ranging from 2.33–2.48 Å. Cr5+ is bonded to six O2- atoms to form CrO6 octahedra that share corners with four equivalent MnO5 square pyramids and edges with two equivalent CrO6 octahedra. There are a spread of Cr–O bond distances ranging from 1.92–1.99 Å. Mn2+ is bonded to five O2- atoms to form MnO5 square pyramids that share corners with four equivalent CrO6 octahedra and an edgeedge with one MnO5 square pyramid. The corner-sharing octahedra tilt angles range from 50–58°. There are a spread of Mn–O bond distances ranging from 1.93–1.98 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Cr5+ and one Mn2+ atom. In the second O2- site, O2- is bonded to two equivalent Y3+ and two equivalent Cr5+ atoms to form a mixture of distorted corner and edge-sharing OY2Cr2 trigonal pyramids. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Y3+ and two equivalent Mn2+ atoms. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Y3+, one Cr5+, and one Mn2+ atom.