Materials Data on AlHO2 by Materials Project

AlOOH crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. Al3+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing AlO6 octahedra. The corner-sharing octahedra tilt angles range from 2–11°. There are a spread of Al–O bond distances ranging from 1.89–2.01 Å. H1+ is bonded in a distorted linear geometry to two equivalent O2- atoms. There is one shorter (1.02 Å) and one longer (1.57 Å) H–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a rectangular see-saw-like geometry to four equivalent Al3+ atoms. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Al3+ and two equivalent H1+ atoms.AlOOH结晶于单斜晶系P2₁空间群，其结构为三维框架。三价铝离子（Al³⁺）与六个二价氧离子（O²⁻）配位，形成兼具共棱与共角连接特征的AlO₆八面体。共角八面体的倾斜角介于2°~11°之间。Al–O键的键长分布范围为1.89~2.01 Å。一价氢离子（H⁺）以畸变直线型配位模式与两个等价的O²⁻结合，其H–O键长分别为1.02 Å（较短）与1.57 Å（较长）。体系中存在两类不等价的O²⁻位点：在第一类O²⁻位点中，O²⁻以矩形跷跷板型配位模式与四个等价的Al³⁺结合；在第二类O²⁻位点中，O²⁻以畸变单键配位模式分别与两个等价的Al³⁺及两个等价的H⁺结合。