Materials Data on TaTl(GeO3)3 by Materials Project
TaTl(GeO3)3 crystallizes in the hexagonal P-6c2 space group. The structure is three-dimensional. Ta5+ is bonded to six equivalent O2- atoms to form TaO6 octahedra that share corners with six equivalent GeO4 tetrahedra. All Ta–O bond lengths are 1.99 Å. Tl1+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. All Tl–O bond lengths are 3.02 Å. Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with two equivalent TaO6 octahedra and corners with two equivalent GeO4 tetrahedra. The corner-sharing octahedral tilt angles are 41°. There is two shorter (1.75 Å) and two longer (1.78 Å) Ge–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent Ge4+ atoms. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Ta5+, one Tl1+, and one Ge4+ atom.