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Materials Data on Na3TmCl6 by Materials Project

(Na)2NaTmCl6 is High-temperature superconductor-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of eight natrium molecules and one NaTmCl6 framework. In the NaTmCl6 framework, Na1+ is bonded to six equivalent Cl1- atoms to form NaCl6 octahedra that share corners with six equivalent TmCl6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Na–Cl bond lengths are 2.70 Å. Tm3+ is bonded to six equivalent Cl1- atoms to form TmCl6 octahedra that share corners with six equivalent NaCl6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Tm–Cl bond lengths are 2.58 Å. Cl1- is bonded in a linear geometry to one Na1+ and one Tm3+ atom.

36 MATERIALS SCIENCE↗