Materials Data on CIF3 by Materials Project
CF3I crystallizes in the orthorhombic Cmce space group. The structure is one-dimensional and consists of eight CF3I ribbons oriented in the (1, 0, 0) direction. C4+ is bonded in a trigonal non-coplanar geometry to one I1- and three F1- atoms. The C–I bond length is 2.17 Å. All C–F bond lengths are 1.35 Å. I1- is bonded in a 2-coordinate geometry to one C4+ and one F1- atom. The I–F bond length is 3.73 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one C4+ and one I1- atom. In the second F1- site, F1- is bonded in a single-bond geometry to one C4+ atom.
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