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Materials Data on Cs2PrF6 by Materials Project

Cs2PrF6 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Cs1+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are three shorter (3.00 Å) and six longer (3.16 Å) Cs–F bond lengths. Pr4+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are three shorter (2.39 Å) and six longer (2.50 Å) Pr–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded to two equivalent Cs1+ and two equivalent Pr4+ atoms to form a mixture of distorted edge and corner-sharing FCs2Pr2 tetrahedra. In the second F1- site, F1- is bonded in a 1-coordinate geometry to four equivalent Cs1+ and one Pr4+ atom.

36 MATERIALS SCIENCE↗