ZrI2 crystallizes in the trigonal R-3 space group. Zr(1) is bonded in a 5-coordinate geometry to two equivalent I(1) and three equivalent I(2) atoms. There are two inequivalent I sites. In the first I site, I(2) is bonded in a 3-coordinate geometry to three equivalent Zr(1) atoms. In the second I site, I(1) is bonded in a 2-coordinate geometry to two equivalent Zr(1) atoms.
ZrI2 crystallizes in the trigonal R-3 space group. Zr(1) is bonded in a 5-coordinate geometry to two equivalent I(1) and three equivalent I(2) atoms. There is one shorter (2.88 Å) and one longer (2.89 Å) Zr(1)-I(1) bond length. There are a spread of Zr(1)-I(2) bond distances ranging from 2.94-3.56 Å. There are two inequivalent I sites. In the first I site, I(2) is bonded in a 3-coordinate geometry to three equivalent Zr(1) atoms. In the second I site, I(1) is bonded in a 2-coordinate geometry to two equivalent Zr(1) atoms.