Materials Data on HfO2 by Materials Project

HfO2 crystallizes in the tetragonal P4_2/nmc space group. The structure is three-dimensional. Hf4+ is bonded in a distorted body-centered cubic geometry to eight equivalent O2- atoms. There are four shorter (2.07 Å) and four longer (2.40 Å) Hf–O bond lengths. O2- is bonded to four equivalent Hf4+ atoms to form a mixture of distorted edge and corner-sharing OHf4 tetrahedra.

HfO₂以四方晶系P4₂/nmc空间群结晶。其结构为三维结构。Hf⁴⁺以扭曲的体心立方几何构型与八个等价的O²⁻原子成键。Hf–O键长包含四种较短键（2.07 Å）与四种较长键（2.40 Å）。O²⁻与四个等价的Hf⁴⁺原子成键，形成由扭曲的边共享和角共享OHf₄四面体混合组成的结构。