Materials Data on CdIn2O4 by Materials Project

CdIn2O4 is Spinel-like structured and crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Cd2+ is bonded to six O2- atoms to form CdO6 octahedra that share corners with six equivalent InO4 tetrahedra, edges with two equivalent CdO6 octahedra, and edges with four equivalent InO6 octahedra. There are four shorter (2.31 Å) and two longer (2.35 Å) Cd–O bond lengths. There are two inequivalent In3+ sites. In the first In3+ site, In3+ is bonded to four O2- atoms to form InO4 tetrahedra that share corners with six equivalent CdO6 octahedra and corners with six equivalent InO6 octahedra. The corner-sharing octahedra tilt angles range from 55–58°. There are two shorter (2.10 Å) and two longer (2.13 Å) In–O bond lengths. In the second In3+ site, In3+ is bonded to six O2- atoms to form InO6 octahedra that share corners with six equivalent InO4 tetrahedra, edges with two equivalent InO6 octahedra, and edges with four equivalent CdO6 octahedra. There are two shorter (2.19 Å) and four longer (2.24 Å) In–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a rectangular see-saw-like geometry to one Cd2+ and three In3+ atoms. In the second O2- site, O2- is bonded in a rectangular see-saw-like geometry to two equivalent Cd2+ and two In3+ atoms.

CdIn₂O₄具有类尖晶石(Spinel-like)结构，结晶于正交晶系的Imma空间群。该结构为三维结构。Cd²⁺与六个O²⁻配位，形成CdO₆八面体，该八面体与六个等价的InO₄四面体共享顶点，与两个等价的CdO₆八面体共享棱，同时与四个等价的InO₆八面体共享棱。Cd–O键长分为两组：四个键长较短，为2.31 Å，两个键长较长，为2.35 Å。
存在两个不等价的In³⁺位点。在第一个In³⁺位点中，In³⁺与四个O²⁻配位，形成InO₄四面体，该四面体与六个等价的CdO₆八面体以及六个等价的InO₆八面体共享顶点。共享顶点的八面体倾斜角范围为55°~58°。该位点的In–O键长分为两组：两个键长较短，为2.10 Å，两个键长较长，为2.13 Å。
在第二个In³⁺位点中，In³⁺与六个O²⁻配位，形成InO₆八面体，该八面体与六个等价的InO₄四面体共享顶点，与两个等价的InO₆八面体共享棱，同时与四个等价的CdO₆八面体共享棱。该位点的In–O键长分为两组：两个键长较短，为2.19 Å，四个键长较长，为2.24 Å。
存在两个不等价的O²⁻位点。在第一个O²⁻位点中，O²⁻以矩形跷跷板型配位几何与一个Cd²⁺和三个In³⁺配位。在第二个O²⁻位点中，O²⁻以矩形跷跷板型配位几何与两个等价的Cd²⁺和两个In³⁺配位。