Results for “K2MnF6”

DOE OSTI2020

Materials Data on K2MnF6 by Materials Project

K2MnF6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. K1+ is bonded to twelve equivalent F1- atoms to form KF12 cuboctahedra that share corners with twelve equivalent KF12 cuboctahedra, faces with six equivalent KF12 cuboctahedra, and faces with four equivalent MnF6 octahedra. All K–F bond lengths are 2.97 Å. Mn4+ is bonded to six equivalent F1- atoms to form MnF6 octahedra that share faces with eight equivalent KF12 cuboctahedra. All Mn–F bond lengths are 1.85 Å. F1- is bonded in a single-bond geometry to four equivalent K1+ and one Mn4+ atom.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on K2MnF6 by Materials Project

K2MnF6 crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded to twelve F1- atoms to form KF12 cuboctahedra that share corners with six equivalent KF12 cuboctahedra, corners with three equivalent MnF6 octahedra, faces with eight KF12 cuboctahedra, and faces with three equivalent MnF6 octahedra. The corner-sharing octahedral tilt angles are 17°. There are a spread of K–F bond distances ranging from 2.90–3.12 Å. In the second K1+ site, K1+ is bonded to twelve F1- atoms to form KF12 cuboctahedra that share corners with twelve equivalent KF12 cuboctahedra, faces with six equivalent KF12 cuboctahedra, and faces with four equivalent MnF6 octahedra. There are a spread of K–F bond distances ranging from 2.88–2.99 Å. Mn4+ is bonded to six F1- atoms to form MnF6 octahedra that share corners with three equivalent KF12 cuboctahedra and faces with seven KF12 cuboctahedra. All Mn–F bond lengths are 1.85 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to four K1+ and one Mn4+ atom. In the second F1- site, F1- is bonded in a distorted single-bond geometry to four K1+ and one Mn4+ atom.

36 MATERIALS SCIENCE↗