Pr2Ni3P4 crystallizes in the tetragonal P-4m2 space group. Pr(1) is bonded in a 15-coordinate geometry to two equivalent Ni(1), two equivalent Ni(2), two equivalent Ni(3), four equivalent P(2), and five equivalent P(1) atoms. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to four equivalent Pr(1) and four equivalent P(2) atoms to form a mixture of distorted face and edge-sharing NiPr4P4 tetrahedra. In the second Ni site, Ni(2) is bonded in a 8-coordinate geometry to four equivalent Pr(1) and four equivalent P(1) atoms. In the third Ni site, Ni(3) is bonded to four equivalent Pr(1) and four equivalent P(2) atoms to form a mixture of distorted face and edge-sharing NiPr4P4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded in a 2-coordinate geometry to five equivalent Pr(1), two equivalent Ni(2), and one P(2) atom. In the second P site, P(2) is bonded in a 9-coordinate geometry to four equivalent Pr(1), two equivalent Ni(1), two equivalent Ni(3), and one P(1) atom.
Pr2Ni3P4 crystallizes in the tetragonal P-4m2 space group. Pr(1) is bonded in a 15-coordinate geometry to two equivalent Ni(1), two equivalent Ni(2), two equivalent Ni(3), four equivalent P(2), and five equivalent P(1) atoms. Both Pr(1)-Ni(1) bond lengths are 3.14 Å. Both Pr(1)-Ni(2) bond lengths are 2.96 Å. Both Pr(1)-Ni(3) bond lengths are 3.14 Å. All Pr(1)-P(2) bond lengths are 3.10 Å. There are four shorter (3.00 Å) and one longer (3.32 Å) Pr(1)-P(1) bond length. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to four equivalent Pr(1) and four equivalent P(2) atoms to form a mixture of distorted face and edge-sharing NiPr4P4 tetrahedra. All Ni(1)-P(2) bond lengths are 2.28 Å. In the second Ni site, Ni(2) is bonded in a 8-coordinate geometry to four equivalent Pr(1) and four equivalent P(1) atoms. All Ni(2)-P(1) bond lengths are 2.28 Å. In the third Ni site, Ni(3) is bonded to four equivalent Pr(1) and four equivalent P(2) atoms to form a mixture of distorted face and edge-sharing NiPr4P4 tetrahedra. All Ni(3)-P(2) bond lengths are 2.28 Å. There are two inequivalent P sites. In the first P site, P(1) is bonded in a 2-coordinate geometry to five equivalent Pr(1), two equivalent Ni(2), and one P(2) atom. The P(1)-P(2) bond length is 2.37 Å. In the second P site, P(2) is bonded in a 9-coordinate geometry to four equivalent Pr(1), two equivalent Ni(1), two equivalent Ni(3), and one P(1) atom.