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PmI3 crystallizes in the hexagonal P6_3/mmc space group. The structure is one-dimensional and consists of two PmI3 ribbons oriented in the (0, 0, 1) direction. Pm3+ is bonded to six equivalent I1- atoms to form distorted face-sharing PmI6 pentagonal pyramids. All Pm–I bond lengths are 3.13 Å. I1- is bonded in an L-shaped geometry to two equivalent Pm3+ atoms.
Pm3I crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Pm is bonded in a distorted see-saw-like geometry to four equivalent I atoms. There are two shorter (3.53 Å) and two longer (3.54 Å) Pm–I bond lengths. I is bonded to twelve equivalent Pm atoms to form a mixture of face and corner-sharing IPm12 cuboctahedra.
PmI is Tungsten Carbide structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Pm is bonded in a 6-coordinate geometry to six equivalent I atoms. All Pm–I bond lengths are 3.28 Å. I is bonded in a 6-coordinate geometry to six equivalent Pm atoms.