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Materials Data on NaBiF6 by Materials Project

NaBiF6 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Na1+ is bonded to six equivalent F1- atoms to form NaF6 octahedra that share corners with six equivalent BiF6 octahedra. The corner-sharing octahedral tilt angles are 41°. All Na–F bond lengths are 2.34 Å. Bi5+ is bonded to six equivalent F1- atoms to form BiF6 octahedra that share corners with six equivalent NaF6 octahedra. The corner-sharing octahedral tilt angles are 41°. All Bi–F bond lengths are 2.05 Å. F1- is bonded in a bent 150 degrees geometry to one Na1+ and one Bi5+ atom.

36 MATERIALS SCIENCE↗

Materials Data on Na3BiF6 by Materials Project

Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

36 MATERIALS SCIENCE↗