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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on CdIn2O4 by Materials Project

CdIn2O4 is Spinel structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Cd2+ is bonded to four equivalent O2- atoms to form CdO4 tetrahedra that share corners with twelve equivalent InO6 octahedra. The corner-sharing octahedral tilt angles are 59°. All Cd–O bond lengths are 2.23 Å. In3+ is bonded to six equivalent O2- atoms to form InO6 octahedra that share corners with six equivalent CdO4 tetrahedra and edges with six equivalent InO6 octahedra. All In–O bond lengths are 2.22 Å. O2- is bonded to one Cd2+ and three equivalent In3+ atoms to form a mixture of distorted edge and corner-sharing OCdIn3 trigonal pyramids.

36 MATERIALS SCIENCE↗
DOE OSTI2020

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.

36 MATERIALS SCIENCE↗