Materials Data on Tl3FeCl5 by Materials Project

Kristin Persson
FeTl3Cl5 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. Fe2+ is bonded in a tetrahedral geometry to four equivalent Cl1- atoms. All Fe–Cl bond lengths are 2.29 Å. There are two inequivalent Tl1+ sites. In the first Tl1+ site, Tl1+ is bonded in a 10-coordinate geometry to ten Cl1- atoms. There are eight shorter (3.55 Å) and two longer (3.73 Å) Tl–Cl bond lengths. In the second Tl1+ site, Tl1+ is bonded...
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