Zr5Pd9P7 crystallizes in the orthorhombic Amm2 space group. There are three inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 13-coordinate geometry to two equivalent Pd(1), two equivalent Pd(4), four equivalent Pd(3), one P(1), and four equivalent P(3) atoms. In the second Zr site, Zr(2) is bonded in a 11-coordinate geometry to two equivalent Pd(2), four equivalent Pd(5), one P(2), and four equivalent P(4) atoms. In the third Zr site, Zr(3) is bonded in a 13-coordinate geometry to one Pd(1), one Pd(3), two equivalent Pd(2), two equivalent Pd(4), two equivalent Pd(5), one P(2), two equivalent P(1), and two equivalent P(4) atoms. There are five inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a 11-coordinate geometry to one Zr(3), two equivalent Zr(1), one Pd(3), two equivalent Pd(4), two equivalent Pd(5), one P(3), and two equivalent P(1) atoms. In the second Pd site, Pd(2) is bonded to two equivalent Zr(2), four equivalent Zr(3), two equivalent Pd(5), two equivalent P(2), and two equivalent P(4) atoms to form distorted PdZr6P4Pd2 cuboctahedra that share corners with four equivalent Pd(4)Zr4P4Pd4 cuboctahedra, corners with four equivalent Pd(3)Zr5P4Pd3 cuboctahedra, faces with two equivalent Pd(4)Zr4P4Pd4 cuboctahedra, and faces with two equivalent Pd(2)Zr6P4Pd2 cuboctahedra. In the third Pd site, Pd(3) is bonded to one Zr(3), four equivalent Zr(1), one Pd(1), two equivalent Pd(4), two equivalent P(1), and two equivalent P(3) atoms to form distorted PdZr5P4Pd3 cuboctahedra that share corners with two equivalent Pd(2)Zr6P4Pd2 cuboctahedra, corners with four equivalent Pd(3)Zr5P4Pd3 cuboctahedra, edges with two equivalent Pd(4)Zr4P4Pd4 cuboctahedra, faces with four equivalent Pd(4)Zr4P4Pd4 cuboctahedra, and faces with four equivalent Pd(3)Zr5P4Pd3 cuboctahedra. In the fourth Pd site, Pd(4) is bonded to two equivalent Zr(1), two equivalent Zr(3), two equivalent Pd(1), two equivalent Pd(3), one P(1), one P(4), and two equivalent P(3) atoms to form distorted PdZr4P4Pd4 cuboctahedra that share corners with two equivalent Pd(4)Zr4P4Pd4 cuboctahedra, corners with two equivalent Pd(2)Zr6P4Pd2 cuboctahedra, edges with two equivalent Pd(3)Zr5P4Pd3 cuboctahedra,  a faceface with one Pd(2)Zr6P4Pd2 cuboctahedra, faces with two equivalent Pd(4)Zr4P4Pd4 cuboctahedra, and faces with four equivalent Pd(3)Zr5P4Pd3 cuboctahedra. In the fifth Pd site, Pd(5) is bonded in a 8-coordinate geometry to two equivalent Zr(2), two equivalent Zr(3), one Pd(2), two equivalent Pd(1), one P(1), one P(4), and two equivalent P(2) atoms. There are four inequivalent P sites. In the first P site, P(1) is bonded in a 9-coordinate geometry to one Zr(1), two equivalent Zr(3), one Pd(4), one Pd(5), two equivalent Pd(1), and two equivalent Pd(3) atoms. In the second P site, P(2) is bonded in a 9-coordinate geometry to one Zr(2), two equivalent Zr(3), two equivalent Pd(2), and four equivalent Pd(5) atoms. In the third P site, P(3) is bonded in a 9-coordinate geometry to four equivalent Zr(1), one Pd(1), two equivalent Pd(3), and two equivalent Pd(4) atoms. In the fourth P site, P(4) is bonded in a 7-coordinate geometry to two equivalent Zr(2), two equivalent Zr(3), one Pd(2), one Pd(4), and one Pd(5) atom.
Zr5Pd9P7 crystallizes in the orthorhombic Amm2 space group. There are three inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 13-coordinate geometry to two equivalent Pd(1), two equivalent Pd(4), four equivalent Pd(3), one P(1), and four equivalent P(3) atoms. Both Zr(1)-Pd(1) bond lengths are 3.05 Å. There is one shorter (3.08 Å) and one longer (3.13 Å) Zr(1)-Pd(4) bond length. There are two shorter (2.96 Å) and two longer (3.00 Å) Zr(1)-Pd(3) bond lengths. The Zr(1)-P(1) bond length is 2.60 Å. There are two shorter (2.70 Å) and two longer (2.81 Å) Zr(1)-P(3) bond lengths. In the second Zr site, Zr(2) is bonded in a 11-coordinate geometry to two equivalent Pd(2), four equivalent Pd(5), one P(2), and four equivalent P(4) atoms. Both Zr(2)-Pd(2) bond lengths are 3.01 Å. All Zr(2)-Pd(5) bond lengths are 3.02 Å. The Zr(2)-P(2) bond length is 2.60 Å. All Zr(2)-P(4) bond lengths are 2.71 Å. In the third Zr site, Zr(3) is bonded in a 13-coordinate geometry to one Pd(1), one Pd(3), two equivalent Pd(2), two equivalent Pd(4), two equivalent Pd(5), one P(2), two equivalent P(1), and two equivalent P(4) atoms. The Zr(3)-Pd(1) bond length is 3.22 Å. The Zr(3)-Pd(3) bond length is 2.91 Å. Both Zr(3)-Pd(2) bond lengths are 3.04 Å. Both Zr(3)-Pd(4) bond lengths are 2.98 Å. Both Zr(3)-Pd(5) bond lengths are 3.08 Å. The Zr(3)-P(2) bond length is 2.74 Å. Both Zr(3)-P(1) bond lengths are 2.76 Å. Both Zr(3)-P(4) bond lengths are 2.72 Å. There are five inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a 11-coordinate geometry to one Zr(3), two equivalent Zr(1), one Pd(3), two equivalent Pd(4), two equivalent Pd(5), one P(3), and two equivalent P(1) atoms. The Pd(1)-Pd(3) bond length is 2.86 Å. Both Pd(1)-Pd(4) bond lengths are 2.99 Å. Both Pd(1)-Pd(5) bond lengths are 2.94 Å. The Pd(1)-P(3) bond length is 2.53 Å. Both Pd(1)-P(1) bond lengths are 2.50 Å. In the second Pd site, Pd(2) is bonded to two equivalent Zr(2), four equivalent Zr(3), two equivalent Pd(5), two equivalent P(2), and two equivalent P(4) atoms to form distorted PdZr6P4Pd2 cuboctahedra that share corners with four equivalent Pd(4)Zr4P4Pd4 cuboctahedra, corners with four equivalent Pd(3)Zr5P4Pd3 cuboctahedra, faces with two equivalent Pd(4)Zr4P4Pd4 cuboctahedra, and faces with two equivalent Pd(2)Zr6P4Pd2 cuboctahedra. Both Pd(2)-Pd(5) bond lengths are 2.91 Å. Both Pd(2)-P(2) bond lengths are 2.50 Å. Both Pd(2)-P(4) bond lengths are 2.46 Å. In the third Pd site, Pd(3) is bonded to one Zr(3), four equivalent Zr(1), one Pd(1), two equivalent Pd(4), two equivalent P(1), and two equivalent P(3) atoms to form distorted PdZr5P4Pd3 cuboctahedra that share corners with two equivalent Pd(2)Zr6P4Pd2 cuboctahedra, corners with four equivalent Pd(3)Zr5P4Pd3 cuboctahedra, edges with two equivalent Pd(4)Zr4P4Pd4 cuboctahedra, faces with four equivalent Pd(4)Zr4P4Pd4 cuboctahedra, and faces with four equivalent Pd(3)Zr5P4Pd3 cuboctahedra. Both Pd(3)-Pd(4) bond lengths are 2.85 Å. Both Pd(3)-P(1) bond lengths are 2.51 Å. There is one shorter (2.48 Å) and one longer (2.54 Å) Pd(3)-P(3) bond length. In the fourth Pd site, Pd(4) is bonded to two equivalent Zr(1), two equivalent Zr(3), two equivalent Pd(1), two equivalent Pd(3), one P(1), one P(4), and two equivalent P(3) atoms to form distorted PdZr4P4Pd4 cuboctahedra that share corners with two equivalent Pd(4)Zr4P4Pd4 cuboctahedra, corners with two equivalent Pd(2)Zr6P4Pd2 cuboctahedra, edges with two equivalent Pd(3)Zr5P4Pd3 cuboctahedra,  a faceface with one Pd(2)Zr6P4Pd2 cuboctahedra, faces with two equivalent Pd(4)Zr4P4Pd4 cuboctahedra, and faces with four equivalent Pd(3)Zr5P4Pd3 cuboctahedra. The Pd(4)-P(1) bond length is 2.71 Å. The Pd(4)-P(4) bond length is 2.44 Å. Both Pd(4)-P(3) bond lengths are 2.50 Å. In the fifth Pd site, Pd(5) is bonded in a 8-coordinate geometry to two equivalent Zr(2), two equivalent Zr(3), one Pd(2), two equivalent Pd(1), one P(1), one P(4), and two equivalent P(2) atoms. The Pd(5)-P(1) bond length is 2.45 Å. The Pd(5)-P(4) bond length is 2.40 Å. Both Pd(5)-P(2) bond lengths are 2.61 Å. There are four inequivalent P sites. In the first P site, P(1) is bonded in a 9-coordinate geometry to one Zr(1), two equivalent Zr(3), one Pd(4), one Pd(5), two equivalent Pd(1), and two equivalent Pd(3) atoms. In the second P site, P(2) is bonded in a 9-coordinate geometry to one Zr(2), two equivalent Zr(3), two equivalent Pd(2), and four equivalent Pd(5) atoms. In the third P site, P(3) is bonded in a 9-coordinate geometry to four equivalent Zr(1), one Pd(1), two equivalent Pd(3), and two equivalent Pd(4) atoms. In the fourth P site, P(4) is bonded in a 7-coordinate geometry to two equivalent Zr(2), two equivalent Zr(3), one Pd(2), one Pd(4), and one Pd(5) atom.