Nd2Ni7P4 crystallizes in the orthorhombic Pmn2_1 space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 16-coordinate geometry to one Ni(2), one Ni(7), two equivalent Ni(1), two equivalent Ni(5), two equivalent Ni(6), three equivalent Ni(3), two equivalent P(2), and three equivalent P(4) atoms. In the second Nd site, Nd(2) is bonded in a 17-coordinate geometry to one Ni(1), one Ni(2), one Ni(6), two equivalent Ni(5), three equivalent Ni(4), three equivalent Ni(7), two equivalent P(1), two equivalent P(2), and two equivalent P(3) atoms. There are seven inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a distorted trigonal non-coplanar geometry to one Nd(2), two equivalent Nd(1), one P(4), and two equivalent P(3) atoms. In the second Ni site, Ni(2) is bonded in a 3-coordinate geometry to one Nd(1), one Nd(2), one P(3), and two equivalent P(1) atoms. In the third Ni site, Ni(3) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Nd(1), one P(1), and two equivalent P(4) atoms. In the fourth Ni site, Ni(4) is bonded in a 4-coordinate geometry to three equivalent Nd(2), one P(1), one P(2), and two equivalent P(3) atoms. In the fifth Ni site, Ni(5) is bonded in a 4-coordinate geometry to two equivalent Nd(1), two equivalent Nd(2), one P(2), one P(3), and two equivalent P(4) atoms. In the sixth Ni site, Ni(6) is bonded in a 4-coordinate geometry to one Nd(2), two equivalent Nd(1), one P(2), one P(4), and two equivalent P(1) atoms. In the seventh Ni site, Ni(7) is bonded to one Nd(1), three equivalent Nd(2), one P(1), one P(3), and two equivalent P(2) atoms to form a mixture of distorted edge and corner-sharing NiNd4P4 tetrahedra. There are four inequivalent P sites. In the first P site, P(1) is bonded in a 9-coordinate geometry to two equivalent Nd(2), one Ni(3), one Ni(4), one Ni(7), two equivalent Ni(2), and two equivalent Ni(6) atoms. In the second P site, P(2) is bonded in a 9-coordinate geometry to two equivalent Nd(1), two equivalent Nd(2), one Ni(4), one Ni(5), one Ni(6), and two equivalent Ni(7) atoms. In the third P site, P(3) is bonded in a 9-coordinate geometry to two equivalent Nd(2), one Ni(2), one Ni(5), one Ni(7), two equivalent Ni(1), and two equivalent Ni(4) atoms. In the fourth P site, P(4) is bonded in a 9-coordinate geometry to three equivalent Nd(1), one Ni(1), one Ni(6), two equivalent Ni(3), and two equivalent Ni(5) atoms.
Nd2Ni7P4 crystallizes in the orthorhombic Pmn2_1 space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 16-coordinate geometry to one Ni(2), one Ni(7), two equivalent Ni(1), two equivalent Ni(5), two equivalent Ni(6), three equivalent Ni(3), two equivalent P(2), and three equivalent P(4) atoms. The Nd(1)-Ni(2) bond length is 3.01 Å. The Nd(1)-Ni(7) bond length is 3.26 Å. Both Nd(1)-Ni(1) bond lengths are 3.12 Å. Both Nd(1)-Ni(5) bond lengths are 3.30 Å. Both Nd(1)-Ni(6) bond lengths are 2.98 Å. There are two shorter (3.07 Å) and one longer (3.17 Å) Nd(1)-Ni(3) bond length. Both Nd(1)-P(2) bond lengths are 2.99 Å. There is one shorter (2.96 Å) and two longer (3.04 Å) Nd(1)-P(4) bond lengths. In the second Nd site, Nd(2) is bonded in a 17-coordinate geometry to one Ni(1), one Ni(2), one Ni(6), two equivalent Ni(5), three equivalent Ni(4), three equivalent Ni(7), two equivalent P(1), two equivalent P(2), and two equivalent P(3) atoms. The Nd(2)-Ni(1) bond length is 3.12 Å. The Nd(2)-Ni(2) bond length is 3.15 Å. The Nd(2)-Ni(6) bond length is 3.30 Å. Both Nd(2)-Ni(5) bond lengths are 3.02 Å. There are two shorter (2.98 Å) and one longer (3.16 Å) Nd(2)-Ni(4) bond length. There are two shorter (3.12 Å) and one longer (3.16 Å) Nd(2)-Ni(7) bond length. Both Nd(2)-P(1) bond lengths are 2.93 Å. Both Nd(2)-P(2) bond lengths are 2.94 Å. Both Nd(2)-P(3) bond lengths are 2.89 Å. There are seven inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a distorted trigonal non-coplanar geometry to one Nd(2), two equivalent Nd(1), one P(4), and two equivalent P(3) atoms. The Ni(1)-P(4) bond length is 2.16 Å. Both Ni(1)-P(3) bond lengths are 2.31 Å. In the second Ni site, Ni(2) is bonded in a 3-coordinate geometry to one Nd(1), one Nd(2), one P(3), and two equivalent P(1) atoms. The Ni(2)-P(3) bond length is 2.13 Å. Both Ni(2)-P(1) bond lengths are 2.30 Å. In the third Ni site, Ni(3) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Nd(1), one P(1), and two equivalent P(4) atoms. The Ni(3)-P(1) bond length is 2.15 Å. Both Ni(3)-P(4) bond lengths are 2.30 Å. In the fourth Ni site, Ni(4) is bonded in a 4-coordinate geometry to three equivalent Nd(2), one P(1), one P(2), and two equivalent P(3) atoms. The Ni(4)-P(1) bond length is 2.28 Å. The Ni(4)-P(2) bond length is 2.26 Å. Both Ni(4)-P(3) bond lengths are 2.36 Å. In the fifth Ni site, Ni(5) is bonded in a 4-coordinate geometry to two equivalent Nd(1), two equivalent Nd(2), one P(2), one P(3), and two equivalent P(4) atoms. The Ni(5)-P(2) bond length is 2.52 Å. The Ni(5)-P(3) bond length is 2.31 Å. Both Ni(5)-P(4) bond lengths are 2.41 Å. In the sixth Ni site, Ni(6) is bonded in a 4-coordinate geometry to one Nd(2), two equivalent Nd(1), one P(2), one P(4), and two equivalent P(1) atoms. The Ni(6)-P(2) bond length is 2.23 Å. The Ni(6)-P(4) bond length is 2.33 Å. Both Ni(6)-P(1) bond lengths are 2.38 Å. In the seventh Ni site, Ni(7) is bonded to one Nd(1), three equivalent Nd(2), one P(1), one P(3), and two equivalent P(2) atoms to form a mixture of distorted edge and corner-sharing NiNd4P4 tetrahedra. The Ni(7)-P(1) bond length is 2.25 Å. The Ni(7)-P(3) bond length is 2.33 Å. Both Ni(7)-P(2) bond lengths are 2.35 Å. There are four inequivalent P sites. In the first P site, P(1) is bonded in a 9-coordinate geometry to two equivalent Nd(2), one Ni(3), one Ni(4), one Ni(7), two equivalent Ni(2), and two equivalent Ni(6) atoms. In the second P site, P(2) is bonded in a 9-coordinate geometry to two equivalent Nd(1), two equivalent Nd(2), one Ni(4), one Ni(5), one Ni(6), and two equivalent Ni(7) atoms. In the third P site, P(3) is bonded in a 9-coordinate geometry to two equivalent Nd(2), one Ni(2), one Ni(5), one Ni(7), two equivalent Ni(1), and two equivalent Ni(4) atoms. In the fourth P site, P(4) is bonded in a 9-coordinate geometry to three equivalent Nd(1), one Ni(1), one Ni(6), two equivalent Ni(3), and two equivalent Ni(5) atoms.