Materials Data on ZnIn2O4 by Materials Project

ZnIn2O4 is Spinel structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Zn2+ is bonded to four equivalent O2- atoms to form ZnO4 tetrahedra that share corners with twelve equivalent InO6 octahedra. The corner-sharing octahedral tilt angles are 57°. All Zn–O bond lengths are 2.06 Å. In3+ is bonded to six equivalent O2- atoms to form InO6 octahedra that share corners with six equivalent ZnO4 tetrahedra and edges with six equivalent InO6 octahedra. All In–O bond lengths are 2.21 Å. O2- is bonded in a distorted rectangular see-saw-like geometry to one Zn2+ and three equivalent In3+ atoms.

ZnIn₂O₄为尖晶石结构，结晶于立方晶系Fd-3m空间群。该结构为三维结构。Zn²⁺与四个等价的O²⁻配位，形成ZnO₄四面体，该四面体与十二个等价的InO₆八面体共享顶点。共顶点八面体的倾斜角为57°。所有Zn–O键的键长均为2.06 Å。In³⁺与六个等价的O²⁻配位，形成InO₆八面体，该八面体与六个等价的ZnO₄四面体共享顶点，同时与六个等价的InO₆八面体共享棱边。所有In–O键的键长均为2.21 Å。O²⁻以畸变的矩形跷跷板状配位几何与一个Zn²⁺和三个等价的In³⁺配位。