Crystal Structure of CsMnF3

Abstract
A single‐crystal x‐ray diffraction study shows that CsMnF3 has the hexagonal BaTiO3‐type structure. The space group is P63/mmc. The unit cell with a=6.213 Å, c=15.074 Å contains six formula units. Each cesium atom has 12 fluorine neighbors at an average distance of 3.13 Å. One third of the manganese atoms occupy the centers of fluorine octahedra that share their corners with other octahedra as in the perovskite structure. The remaining two thirds of the manganese atoms are in distorted fluorine octahedra that each share one face and three corners with other octahedra; these manganese atoms are in pairs 3.00 Å apart. The average Mn–F distance in the octahedra is 2.13 Å.