ZrP3 crystallizes in the tetragonal I4/mmm space group. Zr(1) is bonded to four equivalent P(2) and eight equivalent P(1) atoms to form a mixture of edge, face, and corner-sharing ZrP12 cuboctahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded in a 8-coordinate geometry to four equivalent Zr(1) and four equivalent P(1) atoms. In the second P site, P(2) is bonded in a square co-planar geometry to four equivalent Zr(1) atoms.
ZrP3 crystallizes in the tetragonal I4/mmm space group. Zr(1) is bonded to four equivalent P(2) and eight equivalent P(1) atoms to form a mixture of edge, face, and corner-sharing ZrP12 cuboctahedra. All Zr(1)-P(2) bond lengths are 2.67 Å. All Zr(1)-P(1) bond lengths are 2.94 Å. There are two inequivalent P sites. In the first P site, P(1) is bonded in a 8-coordinate geometry to four equivalent Zr(1) and four equivalent P(1) atoms. All P(1)-P(1) bond lengths are 2.67 Å. In the second P site, P(2) is bonded in a square co-planar geometry to four equivalent Zr(1) atoms.