Zr9Re4P crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 1-coordinate geometry to one Re(2), three equivalent Re(1), and one P(1) atom. In the second Zr site, Zr(2) is bonded in a distorted T-shaped geometry to two equivalent Re(1) and one P(1) atom. There are two inequivalent Re sites. In the first Re site, Re(1) is bonded to two equivalent Zr(2), six equivalent Zr(1), two equivalent Re(1), and two equivalent Re(2) atoms to form distorted ReZr8Re4 cuboctahedra that share corners with four equivalent Re(1)Zr8Re4 cuboctahedra, faces with two equivalent Re(2)Zr6Re6 cuboctahedra, and faces with six equivalent Re(1)Zr8Re4 cuboctahedra. In the second Re site, Re(2) is bonded to six equivalent Zr(1) and six equivalent Re(1) atoms to form ReZr6Re6 cuboctahedra that share faces with two equivalent Re(2)Zr6Re6 cuboctahedra and faces with six equivalent Re(1)Zr8Re4 cuboctahedra. P(1) is bonded in a 9-coordinate geometry to three equivalent Zr(2) and six equivalent Zr(1) atoms.
Zr9Re4P crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 1-coordinate geometry to one Re(2), three equivalent Re(1), and one P(1) atom. The Zr(1)-Re(2) bond length is 2.98 Å. There is one shorter (2.95 Å) and two longer (3.11 Å) Zr(1)-Re(1) bond lengths. The Zr(1)-P(1) bond length is 2.69 Å. In the second Zr site, Zr(2) is bonded in a distorted T-shaped geometry to two equivalent Re(1) and one P(1) atom. Both Zr(2)-Re(1) bond lengths are 2.93 Å. The Zr(2)-P(1) bond length is 3.02 Å. There are two inequivalent Re sites. In the first Re site, Re(1) is bonded to two equivalent Zr(2), six equivalent Zr(1), two equivalent Re(1), and two equivalent Re(2) atoms to form distorted ReZr8Re4 cuboctahedra that share corners with four equivalent Re(1)Zr8Re4 cuboctahedra, faces with two equivalent Re(2)Zr6Re6 cuboctahedra, and faces with six equivalent Re(1)Zr8Re4 cuboctahedra. Both Re(1)-Re(1) bond lengths are 2.76 Å. Both Re(1)-Re(2) bond lengths are 2.72 Å. In the second Re site, Re(2) is bonded to six equivalent Zr(1) and six equivalent Re(1) atoms to form ReZr6Re6 cuboctahedra that share faces with two equivalent Re(2)Zr6Re6 cuboctahedra and faces with six equivalent Re(1)Zr8Re4 cuboctahedra. P(1) is bonded in a 9-coordinate geometry to three equivalent Zr(2) and six equivalent Zr(1) atoms.