Materials Data on NaMgF3 by Materials Project

Abstract

NaMgF3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Na1+ is bonded to twelve equivalent F1- atoms to form NaF12 cuboctahedra that share corners with twelve equivalent NaF12 cuboctahedra, faces with six equivalent NaF12 cuboctahedra, and faces with eight equivalent MgF6 octahedra. All Na–F bond lengths are 2.79 Å. Mg2+ is bonded to six equivalent F1- atoms to form MgF6 octahedra that share corners with six equivalent MgF6 octahedra and faces with eight equivalent NaF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Mg–F bond lengths are 1.98 Å. F1- is bonded in a distorted linear geometry to four equivalent Na1+ and two equivalent Mg2+ atoms.