Materials Data on Na2TmAgCl6 by Materials Project
(Na)2TmAgCl6 is High-temperature superconductor-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of eight sodium molecules and one TmAgCl6 framework. In the TmAgCl6 framework, Tm3+ is bonded to six equivalent Cl1- atoms to form TmCl6 octahedra that share corners with six equivalent AgCl6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Tm–Cl bond lengths are 2.58 Å. Ag1+ is bonded to six equivalent Cl1- atoms to form AgCl6 octahedra that share corners with six equivalent TmCl6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Ag–Cl bond lengths are 2.70 Å. Cl1- is bonded in a linear geometry to one Tm3+ and one Ag1+ atom.
36 MATERIALS SCIENCE↗