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Materials Data on CrCdO4 by Materials Project

CrCdO4 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Cr6+ is bonded to four O2- atoms to form CrO4 tetrahedra that share corners with six equivalent CdO6 octahedra. The corner-sharing octahedra tilt angles range from 44–53°. There is two shorter (1.64 Å) and two longer (1.70 Å) Cr–O bond length. Cd2+ is bonded to six O2- atoms to form CdO6 octahedra that share corners with six equivalent CrO4 tetrahedra and edges with two equivalent CdO6 octahedra. There are two shorter (2.30 Å) and four longer (2.33 Å) Cd–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one Cr6+ and two equivalent Cd2+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one Cr6+ and one Cd2+ atom.

36 MATERIALS SCIENCE↗

Materials Data on Cr2CdO4 by Materials Project

CdCr2O4 is Spinel structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Cr3+ is bonded to six equivalent O2- atoms to form CrO6 octahedra that share corners with six equivalent CdO4 tetrahedra and edges with six equivalent CrO6 octahedra. All Cr–O bond lengths are 2.04 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 2.18 Å. O2- is bonded to three equivalent Cr3+ and one Cd2+ atom to form a mixture of distorted edge and corner-sharing OCr3Cd tetrahedra.

36 MATERIALS SCIENCE↗