Materials Data on HfH3 by Materials Project

HfH3 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Hf is bonded to twelve equivalent H atoms to form a mixture of distorted face and corner-sharing HfH12 cuboctahedra. There are a spread of Hf–H bond distances ranging from 2.02–2.38 Å. H is bonded in a distorted see-saw-like geometry to four equivalent Hf atoms.

三氢化铪（HfH3）结晶于三方晶系P-3m1空间群中。其晶体结构为三维空间结构。铪（Hf）与十二个等价的氢（H）原子成键，形成兼具畸变面共享与角共享特征的HfH12立方八面体配位多面体。铪-氢键的键长分布范围为2.02~2.38埃（Å）。氢（H）以畸变跷跷板构型与四个等价的铪（Hf）原子成键。