Materials Data on Cr4CdCuO8 by Materials Project

Cr4CuCdO8 is Spinel-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Cr3+ is bonded to six O2- atoms to form CrO6 octahedra that share corners with three equivalent CuO4 tetrahedra, corners with three equivalent CdO4 tetrahedra, and edges with six equivalent CrO6 octahedra. There are three shorter (2.01 Å) and three longer (2.05 Å) Cr–O bond lengths. Cu2+ is bonded to four equivalent O2- atoms to form CuO4 tetrahedra that share corners with twelve equivalent CrO6 octahedra. The corner-sharing octahedral tilt angles are 59°. All Cu–O bond lengths are 2.06 Å. Cd2+ is bonded to four equivalent O2- atoms to form CdO4 tetrahedra that share corners with twelve equivalent CrO6 octahedra. The corner-sharing octahedral tilt angles are 61°. All Cd–O bond lengths are 2.14 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to three equivalent Cr3+ and one Cd2+ atom to form distorted OCr3Cd tetrahedra that share corners with three equivalent OCr3Cd tetrahedra, corners with nine equivalent OCr3Cu trigonal pyramids, and edges with three equivalent OCr3Cd tetrahedra. In the second O2- site, O2- is bonded to three equivalent Cr3+ and one Cu2+ atom to form distorted OCr3Cu trigonal pyramids that share corners with nine equivalent OCr3Cd tetrahedra, corners with three equivalent OCr3Cu trigonal pyramids, and edges with three equivalent OCr3Cu trigonal pyramids.