Nd2Ni12P5 crystallizes in the monoclinic P2_1/m space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 18-coordinate geometry to one Ni(11), one Ni(2), one Ni(5), one Ni(8), one Ni(9), two equivalent Ni(1), two equivalent Ni(10), two equivalent Ni(12), three equivalent Ni(7), two equivalent P(3), and two equivalent P(5) atoms. In the second Nd site, Nd(2) is bonded in a 7-coordinate geometry to one P(5), two equivalent P(1), two equivalent P(2), and two equivalent P(4) atoms. There are twelve inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 2-coordinate geometry to two equivalent Nd(1), one P(2), and one P(5) atom. In the second Ni site, Ni(2) is bonded in a 3-coordinate geometry to one Nd(1), one P(3), and two equivalent P(4) atoms. In the third Ni site, Ni(3) is bonded in a distorted water-like geometry to two equivalent P(2) atoms. In the fourth Ni site, Ni(4) is bonded in a distorted water-like geometry to two equivalent P(4) atoms. In the fifth Ni site, Ni(5) is bonded in a 4-coordinate geometry to one Nd(1), one P(1), one P(4), and two equivalent P(3) atoms. In the sixth Ni site, Ni(6) is bonded in a 4-coordinate geometry to one P(2) and three equivalent P(1) atoms. In the seventh Ni site, Ni(7) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Nd(1) and three equivalent P(3) atoms. In the eighth Ni site, Ni(8) is bonded in a 3-coordinate geometry to one Nd(1), one P(1), and two equivalent P(2) atoms. In the ninth Ni site, Ni(9) is bonded in a distorted trigonal planar geometry to one Nd(1), one P(4), and two equivalent P(5) atoms. In the tenth Ni site, Ni(10) is bonded in a 2-coordinate geometry to two equivalent Nd(1), one P(4), and one P(5) atom. In the eleventh Ni site, Ni(11) is bonded in a distorted trigonal planar geometry to one Nd(1), one P(2), and two equivalent P(5) atoms. In the twelfth Ni site, Ni(12) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Nd(1), one P(3), and two equivalent P(1) atoms. There are five inequivalent P sites. In the first P site, P(1) is bonded in a 9-coordinate geometry to two equivalent Nd(2), one Ni(5), one Ni(8), two equivalent Ni(12), and three equivalent Ni(6) atoms. In the second P site, P(2) is bonded in a 9-coordinate geometry to two equivalent Nd(2), one Ni(1), one Ni(11), one Ni(6), two equivalent Ni(3), and two equivalent Ni(8) atoms. In the third P site, P(3) is bonded in a 9-coordinate geometry to two equivalent Nd(1), one Ni(12), one Ni(2), two equivalent Ni(5), and three equivalent Ni(7) atoms. In the fourth P site, P(4) is bonded in a 9-coordinate geometry to two equivalent Nd(2), one Ni(10), one Ni(5), one Ni(9), two equivalent Ni(2), and two equivalent Ni(4) atoms. In the fifth P site, P(5) is bonded in a 9-coordinate geometry to one Nd(2), two equivalent Nd(1), one Ni(1), one Ni(10), two equivalent Ni(11), and two equivalent Ni(9) atoms.
Nd2Ni12P5 crystallizes in the monoclinic P2_1/m space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 18-coordinate geometry to one Ni(11), one Ni(2), one Ni(5), one Ni(8), one Ni(9), two equivalent Ni(1), two equivalent Ni(10), two equivalent Ni(12), three equivalent Ni(7), two equivalent P(3), and two equivalent P(5) atoms. The Nd(1)-Ni(11) bond length is 3.21 Å. The Nd(1)-Ni(2) bond length is 3.16 Å. The Nd(1)-Ni(5) bond length is 3.46 Å. The Nd(1)-Ni(8) bond length is 3.13 Å. The Nd(1)-Ni(9) bond length is 3.19 Å. Both Nd(1)-Ni(1) bond lengths are 2.96 Å. Both Nd(1)-Ni(10) bond lengths are 2.97 Å. Both Nd(1)-Ni(12) bond lengths are 3.16 Å. There are two shorter (3.10 Å) and one longer (3.31 Å) Nd(1)-Ni(7) bond length. Both Nd(1)-P(3) bond lengths are 2.96 Å. Both Nd(1)-P(5) bond lengths are 2.98 Å. In the second Nd site, Nd(2) is bonded in a 7-coordinate geometry to one P(5), two equivalent P(1), two equivalent P(2), and two equivalent P(4) atoms. The Nd(2)-P(5) bond length is 3.04 Å. Both Nd(2)-P(1) bond lengths are 3.11 Å. Both Nd(2)-P(2) bond lengths are 3.05 Å. Both Nd(2)-P(4) bond lengths are 3.09 Å. There are twelve inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 2-coordinate geometry to two equivalent Nd(1), one P(2), and one P(5) atom. The Ni(1)-P(2) bond length is 2.17 Å. The Ni(1)-P(5) bond length is 2.26 Å. In the second Ni site, Ni(2) is bonded in a 3-coordinate geometry to one Nd(1), one P(3), and two equivalent P(4) atoms. The Ni(2)-P(3) bond length is 2.12 Å. Both Ni(2)-P(4) bond lengths are 2.30 Å. In the third Ni site, Ni(3) is bonded in a distorted water-like geometry to two equivalent P(2) atoms. Both Ni(3)-P(2) bond lengths are 2.30 Å. In the fourth Ni site, Ni(4) is bonded in a distorted water-like geometry to two equivalent P(4) atoms. Both Ni(4)-P(4) bond lengths are 2.25 Å. In the fifth Ni site, Ni(5) is bonded in a 4-coordinate geometry to one Nd(1), one P(1), one P(4), and two equivalent P(3) atoms. The Ni(5)-P(1) bond length is 2.19 Å. The Ni(5)-P(4) bond length is 2.24 Å. Both Ni(5)-P(3) bond lengths are 2.40 Å. In the sixth Ni site, Ni(6) is bonded in a 4-coordinate geometry to one P(2) and three equivalent P(1) atoms. The Ni(6)-P(2) bond length is 2.27 Å. There is one shorter (2.18 Å) and two longer (2.41 Å) Ni(6)-P(1) bond lengths. In the seventh Ni site, Ni(7) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Nd(1) and three equivalent P(3) atoms. There is one shorter (2.18 Å) and two longer (2.31 Å) Ni(7)-P(3) bond lengths. In the eighth Ni site, Ni(8) is bonded in a 3-coordinate geometry to one Nd(1), one P(1), and two equivalent P(2) atoms. The Ni(8)-P(1) bond length is 2.15 Å. Both Ni(8)-P(2) bond lengths are 2.29 Å. In the ninth Ni site, Ni(9) is bonded in a distorted trigonal planar geometry to one Nd(1), one P(4), and two equivalent P(5) atoms. The Ni(9)-P(4) bond length is 2.23 Å. Both Ni(9)-P(5) bond lengths are 2.28 Å. In the tenth Ni site, Ni(10) is bonded in a 2-coordinate geometry to two equivalent Nd(1), one P(4), and one P(5) atom. The Ni(10)-P(4) bond length is 2.18 Å. The Ni(10)-P(5) bond length is 2.26 Å. In the eleventh Ni site, Ni(11) is bonded in a distorted trigonal planar geometry to one Nd(1), one P(2), and two equivalent P(5) atoms. The Ni(11)-P(2) bond length is 2.24 Å. Both Ni(11)-P(5) bond lengths are 2.28 Å. In the twelfth Ni site, Ni(12) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Nd(1), one P(3), and two equivalent P(1) atoms. The Ni(12)-P(3) bond length is 2.17 Å. Both Ni(12)-P(1) bond lengths are 2.30 Å. There are five inequivalent P sites. In the first P site, P(1) is bonded in a 9-coordinate geometry to two equivalent Nd(2), one Ni(5), one Ni(8), two equivalent Ni(12), and three equivalent Ni(6) atoms. In the second P site, P(2) is bonded in a 9-coordinate geometry to two equivalent Nd(2), one Ni(1), one Ni(11), one Ni(6), two equivalent Ni(3), and two equivalent Ni(8) atoms. In the third P site, P(3) is bonded in a 9-coordinate geometry to two equivalent Nd(1), one Ni(12), one Ni(2), two equivalent Ni(5), and three equivalent Ni(7) atoms. In the fourth P site, P(4) is bonded in a 9-coordinate geometry to two equivalent Nd(2), one Ni(10), one Ni(5), one Ni(9), two equivalent Ni(2), and two equivalent Ni(4) atoms. In the fifth P site, P(5) is bonded in a 9-coordinate geometry to one Nd(2), two equivalent Nd(1), one Ni(1), one Ni(10), two equivalent Ni(11), and two equivalent Ni(9) atoms.