Materials Data on Nb3I by Materials Project
Nb3I is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Nb is bonded in a 12-coordinate geometry to four equivalent I atoms. There are two shorter (3.04 Å) and two longer (3.15 Å) Nb–I bond lengths. I is bonded to twelve equivalent Nb atoms to form a mixture of corner and face-sharing INb12 cuboctahedra.
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