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Materials Data on NaLi2RhF6 by Materials Project

(Li)2NaRhF6 is High-temperature superconductor-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of eight lithium molecules and one NaRhF6 framework. In the NaRhF6 framework, Na1+ is bonded to six equivalent F1- atoms to form NaF6 octahedra that share corners with six equivalent RhF6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Na–F bond lengths are 2.15 Å. Rh3+ is bonded to six equivalent F1- atoms to form RhF6 octahedra that share corners with six equivalent NaF6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Rh–F bond lengths are 1.99 Å. F1- is bonded in a linear geometry to one Na1+ and one Rh3+ atom.

36 MATERIALS SCIENCE↗