Materials Data on MnO2 by Materials Project

MnO2 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Mn4+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There is two shorter (1.85 Å) and four longer (2.07 Å) Mn–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to two equivalent Mn4+ atoms. In the second O2- site, O2- is bonded in a square co-planar geometry to four equivalent Mn4+ atoms.

二氧化锰（MnO₂）结晶于四方晶系的P4/mmm空间群。其晶体结构为三维框架结构。四价锰离子（Mn⁴+）与六个二价氧离子（O²-）配位，形成兼具共棱与共顶点连接方式的MnO₆八面体。共顶点八面体的倾斜角为0°。Mn–O键长分为两类：2个较短键长（1.85 Å）与4个较长键长（2.07 Å）。体系中存在两类不等价的O²-配位位点：在第一类O²-位点中，O²-以直线型配位模式与两个等价的Mn⁴+结合；在第二类O²-位点中，O²-以平面正方形配位模式与四个等价的Mn⁴+结合。