Zr9(NiP2)2 crystallizes in the tetragonal P4/mbm space group. There are four inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a square co-planar geometry to four equivalent P(1) atoms. In the second Zr site, Zr(2) is bonded in a distorted hexagonal planar geometry to two equivalent Ni(1) and four equivalent P(1) atoms. In the third Zr site, Zr(3) is bonded in a T-shaped geometry to one Ni(1) and two equivalent P(1) atoms. In the fourth Zr site, Zr(4) is bonded in a 6-coordinate geometry to two equivalent Ni(1) and four equivalent P(1) atoms. Ni(1) is bonded in a 9-coordinate geometry to one Zr(3), two equivalent Zr(4), four equivalent Zr(2), and two equivalent P(1) atoms. P(1) is bonded in a 9-coordinate geometry to one Zr(1), one Zr(3), two equivalent Zr(4), four equivalent Zr(2), and one Ni(1) atom.
Zr9(NiP2)2 crystallizes in the tetragonal P4/mbm space group. There are four inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a square co-planar geometry to four equivalent P(1) atoms. All Zr(1)-P(1) bond lengths are 2.79 Å. In the second Zr site, Zr(2) is bonded in a distorted hexagonal planar geometry to two equivalent Ni(1) and four equivalent P(1) atoms. Both Zr(2)-Ni(1) bond lengths are 2.70 Å. There are two shorter (2.72 Å) and two longer (2.79 Å) Zr(2)-P(1) bond lengths. In the third Zr site, Zr(3) is bonded in a T-shaped geometry to one Ni(1) and two equivalent P(1) atoms. The Zr(3)-Ni(1) bond length is 2.69 Å. Both Zr(3)-P(1) bond lengths are 2.84 Å. In the fourth Zr site, Zr(4) is bonded in a 6-coordinate geometry to two equivalent Ni(1) and four equivalent P(1) atoms. Both Zr(4)-Ni(1) bond lengths are 2.84 Å. All Zr(4)-P(1) bond lengths are 2.74 Å. Ni(1) is bonded in a 9-coordinate geometry to one Zr(3), two equivalent Zr(4), four equivalent Zr(2), and two equivalent P(1) atoms. Both Ni(1)-P(1) bond lengths are 2.31 Å. P(1) is bonded in a 9-coordinate geometry to one Zr(1), one Zr(3), two equivalent Zr(4), four equivalent Zr(2), and one Ni(1) atom.