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Materials Data on K2GdF5 by Materials Project

K2GdF5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of K–F bond distances ranging from 2.68–2.91 Å. Gd3+ is bonded to seven F1- atoms to form distorted edge-sharing GdF7 pentagonal bipyramids. There are a spread of Gd–F bond distances ranging from 2.25–2.34 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a 5-coordinate geometry to four equivalent K1+ and one Gd3+ atom. In the second F1- site, F1- is bonded in a 4-coordinate geometry to two equivalent K1+ and two equivalent Gd3+ atoms. In the third F1- site, F1- is bonded in a 5-coordinate geometry to four equivalent K1+ and one Gd3+ atom. In the fourth F1- site, F1- is bonded in a 5-coordinate geometry to four equivalent K1+ and one Gd3+ atom.

36 MATERIALS SCIENCE↗