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Materials Data on HfI3 by Materials Project

HfI3 crystallizes in the hexagonal P6_3/mcm space group. The structure is one-dimensional and consists of one HfI3 ribbon oriented in the (0, 0, 1) direction. Hf is bonded to six equivalent I atoms to form face-sharing HfI6 octahedra. All Hf–I bond lengths are 2.90 Å. I is bonded in a 2-coordinate geometry to two equivalent Hf atoms.

36 MATERIALS SCIENCE↗