Materials Data on GaBiO3 by Materials Project

BiGaO3 is Ilmenite-like structured and crystallizes in the trigonal R3c space group. The structure is three-dimensional. Ga3+ is bonded to six equivalent O2- atoms to form corner-sharing GaO6 octahedra. The corner-sharing octahedral tilt angles are 26°. There are three shorter (1.96 Å) and three longer (2.11 Å) Ga–O bond lengths. Bi3+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. There are three shorter (2.33 Å) and three longer (2.48 Å) Bi–O bond lengths. O2- is bonded in a distorted see-saw-like geometry to two equivalent Ga3+ and two equivalent Bi3+ atoms.

BiGaO₃为钛铁矿型结构，结晶于三方晶系R3c空间群。该结构为三维空间结构。Ga³+与六个等价的O²-配位，形成共角GaO₆八面体。共角八面体的倾斜角为26°，Ga-O键存在三组较短键长（1.96 Å）与三组较长键长（2.11 Å）。Bi³+以六配位几何构型与六个等价的O²-配位，Bi-O键同样存在三组较短键长（2.33 Å）与三组较长键长（2.48 Å）。O²-处于畸变跷跷板型几何构型中，与两个等价的Ga³+和两个等价的Bi³+成键。