Materials Data on NaMnF4 by Materials Project
NaMnF4 is zeta iron carbide-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Na1+ is bonded to six F1- atoms to form NaF6 octahedra that share corners with four equivalent NaF6 octahedra, corners with four equivalent MnF6 octahedra, and edges with two equivalent MnF6 octahedra. The corner-sharing octahedra tilt angles range from 45–66°. There are a spread of Na–F bond distances ranging from 2.30–2.42 Å. Mn3+ is bonded to six F1- atoms to form MnF6 octahedra that share corners with four equivalent NaF6 octahedra, corners with four equivalent MnF6 octahedra, and edges with two equivalent NaF6 octahedra. The corner-sharing octahedra tilt angles range from 41–55°. There are a spread of Mn–F bond distances ranging from 1.86–2.21 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a 3-coordinate geometry to one Na1+ and two equivalent Mn3+ atoms. In the second F1- site, F1- is bonded in a distorted trigonal planar geometry to two equivalent Na1+ and one Mn3+ atom.