Materials Data on TlGaO3 by Materials Project
TlGaO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Tl3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Tl–O bond distances ranging from 2.24–2.84 Å. Ga3+ is bonded to six O2- atoms to form corner-sharing GaO6 octahedra. The corner-sharing octahedra tilt angles range from 35–37°. There are four shorter (2.01 Å) and two longer (2.07 Å) Ga–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Tl3+ and two equivalent Ga3+ atoms to form distorted corner-sharing OTl2Ga2 tetrahedra. In the second O2- site, O2- is bonded in a 4-coordinate geometry to three equivalent Tl3+ and two equivalent Ga3+ atoms.