Nb3I is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. Nb(1) is bonded in a 4-coordinate geometry to four equivalent I(1) atoms. I(1) is bonded to twelve equivalent Nb(1) atoms to form a mixture of face and corner-sharing INb12 cuboctahedra.
Nb3I is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. Nb(1) is bonded in a 4-coordinate geometry to four equivalent I(1) atoms. There are two shorter (3.04 Å) and two longer (3.15 Å) Nb(1)-I(1) bond lengths. I(1) is bonded to twelve equivalent Nb(1) atoms to form a mixture of face and corner-sharing INb12 cuboctahedra.