Materials Data on Cs3I by Materials Project
Cs3I crystallizes in the hexagonal P6_3/mmc space group. The structure is one-dimensional and consists of two Cs3I ribbons oriented in the (0, 0, 1) direction. Cs is bonded in an L-shaped geometry to two equivalent I atoms. Both Cs–I bond lengths are 3.94 Å. I is bonded to six equivalent Cs atoms to form distorted face-sharing ICs6 pentagonal pyramids.
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