Materials Data on Bi2AuO5 by Materials Project

AuBi2O5 crystallizes in the tetragonal P4/ncc space group. The structure is three-dimensional. Au2+ is bonded in a rectangular see-saw-like geometry to four equivalent O2- atoms. All Au–O bond lengths are 2.01 Å. Bi4+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Bi–O bond distances ranging from 2.35–2.60 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to one Au2+ and three equivalent Bi4+ atoms. In the second O2- site, O2- is bonded to four equivalent Bi4+ atoms to form edge-sharing OBi4 tetrahedra.

AuBi₂O₅属于四方晶系P4/ncc空间群，其晶体结构为三维结构。二价金阳离子（Au²⁺）以矩形跷跷板型配位几何与四个等价的二价氧阴离子（O²⁻）成键，所有Au—O键长均为2.01埃（Å）。四价铋阳离子（Bi⁴⁺）以八配位几何与八个O²⁻成键，Bi—O键的键长分布范围为2.35~2.60埃。体系中存在两个不等价的O²⁻位点：在第一个O²⁻位点中，O²⁻以四配位几何分别与1个Au²⁺和3个等价的Bi⁴⁺成键；在第二个O²⁻位点中，O²⁻与四个等价的Bi⁴⁺成键，形成共边的OBi₄四面体结构。