The structure of a nickel–iodine boracite single crystal was investigated at 77 and 6 K by means of neutron diffraction. The high temperature phase at 77 K is characterized by the space group F43c, with statistical displacements of the metal and halogen ions out of the positions 24c and 8b respectively. Below 62 K these displacements order on positions corresponding to the orthorhombic space group Pca21 and simultaneously magnetic long range order sets in. The observed magnetic intensities are explained by an arrangement of the nickel moments within the orthorhombic unit cell, which is invariant under the magnetic space group P1. The observed saturation moment is μ = 3.26 μB.
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