Materials Data on YMn4(CuO4)3 by Materials Project

Abstract

YCu3Mn4O12 crystallizes in the cubic Im-3 space group. The structure is three-dimensional. Y3+ is bonded to twelve equivalent O2- atoms to form YO12 cuboctahedra that share faces with eight equivalent MnO6 octahedra. All Y–O bond lengths are 2.57 Å. Mn+4.50+ is bonded to six equivalent O2- atoms to form MnO6 octahedra that share corners with six equivalent MnO6 octahedra and faces with two equivalent YO12 cuboctahedra. The corner-sharing octahedral tilt angles are 42°. All Mn–O bond lengths are 1.98 Å. Cu1+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Cu–O bond lengths are 1.93 Å. O2- is bonded in a 3-coordinate geometry to one Y3+, two equivalent Mn+4.50+, and one Cu1+ atom.