Materials Data on InNi2SbO6 by Materials Project

Ni2InSbO6 is Corundum-derived structured and crystallizes in the trigonal R3 space group. The structure is three-dimensional. there are two inequivalent Ni2+ sites. In the first Ni2+ site, Ni2+ is bonded to six O2- atoms to form distorted NiO6 octahedra that share corners with three equivalent SbO6 octahedra, corners with six equivalent NiO6 octahedra, edges with three equivalent InO6 octahedra, and a faceface with one SbO6 octahedra. The corner-sharing octahedra tilt angles range from 44–58°. There are three shorter (2.07 Å) and three longer (2.17 Å) Ni–O bond lengths. In the second Ni2+ site, Ni2+ is bonded to six O2- atoms to form NiO6 octahedra that share corners with three equivalent InO6 octahedra, corners with six equivalent NiO6 octahedra, edges with three equivalent SbO6 octahedra, and a faceface with one InO6 octahedra. The corner-sharing octahedra tilt angles range from 44–64°. There are three shorter (2.05 Å) and three longer (2.16 Å) Ni–O bond lengths. In3+ is bonded to six O2- atoms to form distorted InO6 octahedra that share corners with three equivalent NiO6 octahedra, corners with six equivalent SbO6 octahedra, edges with three equivalent NiO6 octahedra, and a faceface with one NiO6 octahedra. The corner-sharing octahedra tilt angles range from 46–64°. There are three shorter (2.12 Å) and three longer (2.28 Å) In–O bond lengths. Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with three equivalent NiO6 octahedra, corners with six equivalent InO6 octahedra, edges with three equivalent NiO6 octahedra, and a faceface with one NiO6 octahedra. The corner-sharing octahedra tilt angles range from 46–58°. There are three shorter (2.00 Å) and three longer (2.05 Å) Sb–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two Ni2+, one In3+, and one Sb5+ atom to form a mixture of distorted edge and corner-sharing OInNi2Sb trigonal pyramids. In the second O2- site, O2- is bonded in a distorted see-saw-like geometry to two Ni2+, one In3+, and one Sb5+ atom.