Materials Data on GaFeNiO4 by Materials Project
FeNiGaO4 is Spinel-derived structured and crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Fe3+ is bonded to four O2- atoms to form FeO4 tetrahedra that share corners with six equivalent NiO6 octahedra and corners with six equivalent GaO6 octahedra. The corner-sharing octahedra tilt angles range from 55–59°. There is two shorter (1.91 Å) and two longer (1.95 Å) Fe–O bond length. Ni2+ is bonded to six O2- atoms to form NiO6 octahedra that share corners with six equivalent FeO4 tetrahedra, edges with two equivalent NiO6 octahedra, and edges with four equivalent GaO6 octahedra. All Ni–O bond lengths are 2.08 Å. 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 NiO6 octahedra. There are two shorter (2.00 Å) and four longer (2.03 Å) Ga–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 Fe3+, one Ni2+, and two equivalent Ga3+ atoms. In the second O2- site, O2- is bonded in a rectangular see-saw-like geometry to one Fe3+, two equivalent Ni2+, and one Ga3+ atom.