Materials Data on Ga(FeO2)2 by Materials Project

Ga(FeO2)2 is Spinel-like structured and crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. there are two inequivalent Fe+2.50+ sites. In the first Fe+2.50+ site, Fe+2.50+ is bonded to six O2- atoms to form FeO6 octahedra that share corners with six equivalent FeO4 tetrahedra, edges with two equivalent FeO6 octahedra, and edges with four equivalent GaO6 octahedra. There are four shorter (2.07 Å) and two longer (2.16 Å) Fe–O bond lengths. In the second Fe+2.50+ site, Fe+2.50+ is bonded to four O2- atoms to form FeO4 tetrahedra that share corners with six equivalent FeO6 octahedra and corners with six equivalent GaO6 octahedra. The corner-sharing octahedra tilt angles range from 56–58°. There is two shorter (1.92 Å) and two longer (1.96 Å) Fe–O bond length. Ga3+ is bonded to six O2- atoms to form GaO6 octahedra that share corners with six equivalent FeO4 tetrahedra, edges with two equivalent GaO6 octahedra, and edges with four equivalent FeO6 octahedra. All Ga–O bond lengths are 2.03 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a rectangular see-saw-like geometry to three Fe+2.50+ and one Ga3+ atom. In the second O2- site, O2- is bonded in a rectangular see-saw-like geometry to two Fe+2.50+ and two equivalent Ga3+ atoms.