Materials Data on TiO2 by Materials Project

TiO2 is beta Vanadium nitride-like structured and crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Ti4+ is bonded to six equivalent O2- atoms to form a mixture of distorted edge and corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles are 25°. There is four shorter (1.95 Å) and two longer (2.01 Å) Ti–O bond length. O2- is bonded in a distorted T-shaped geometry to three equivalent Ti4+ atoms.

二氧化钛（TiO₂）具有类β-氮化钒的晶体结构，结晶于四方晶系I4₁/amd空间群。该晶体结构为三维构型。四价钛离子（Ti⁴⁺）与六个等价的二价氧离子（O²⁻）配位，形成兼具畸变棱共享与角共享特征的TiO₆八面体。角共享八面体的倾斜角为25°。体系中存在4条键长为1.95 Å的较短Ti—O键与2条键长为2.01 Å的较长Ti—O键。二价氧离子（O²⁻）以畸变T型配位几何与三个等价的四价钛离子配位。