Materials Data on TiMnO3 by Materials Project

MnTiO3 is Ilmenite-like structured and crystallizes in the trigonal R3c space group. The structure is three-dimensional. Ti4+ is bonded to six equivalent O2- atoms to form distorted corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles are 38°. There are three shorter (1.87 Å) and three longer (2.18 Å) Ti–O bond lengths. Mn2+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. There are three shorter (2.15 Å) and three longer (2.28 Å) Mn–O bond lengths. O2- is bonded in a distorted see-saw-like geometry to two equivalent Ti4+ and two equivalent Mn2+ atoms.

MnTiO₃ 为钛铁矿（Ilmenite）型结构，结晶于三方晶系R3c空间群（trigonal R3c space group）。其晶体结构为三维网状结构。Ti⁴⁺与六个等价的O²⁻原子配位，形成畸变的共顶点TiO₆八面体。该共顶点八面体的倾斜角为38°。Ti-O键存在三组较短键长（1.87 Å）与三组较长键长（2.18 Å）。Mn²⁺以六配位几何构型与六个等价的O²⁻原子配位，其Mn-O键存在三组较短键长（2.15 Å）与三组较长键长（2.28 Å）。O²⁻以畸变的跷跷板型几何构型，分别与两个等价的Ti⁴⁺及两个等价的Mn²⁺成键。