Materials Data on MoI3 by Materials Project
MoI3 crystallizes in the hexagonal P6_3/mmc space group. The structure is one-dimensional and consists of two MoI3 ribbons oriented in the (0, 0, 1) direction. Mo3+ is bonded to six equivalent I1- atoms to form distorted face-sharing MoI6 pentagonal pyramids. All Mo–I bond lengths are 2.83 Å. I1- is bonded in an L-shaped geometry to two equivalent Mo3+ atoms.
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