Materials Data on K6BiH3(Cl2F)4 by Materials Project

Kristin Persson
K6BiH3(Cl2F)4 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded to six Cl1- atoms to form KCl6 octahedra that share edges with two equivalent BiCl6 octahedra and edges with four equivalent KCl6 octahedra. There are two shorter (3.09 Å) and four longer (3.31 Å) K–Cl bond lengths. In the second K1+ site, K1+ is bonded in a 2-coordinate geometry...
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