Zr5Sn3P crystallizes in the hexagonal P6_3/mcm space group. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 6-coordinate geometry to six equivalent Sn(1) atoms. In the second Zr site, Zr(2) is bonded in a 7-coordinate geometry to five equivalent Sn(1) and two equivalent P(1) atoms. Sn(1) is bonded in a 9-coordinate geometry to four equivalent Zr(1) and five equivalent Zr(2) atoms. P(1) is bonded to six equivalent Zr(2) atoms to form face-sharing PZr6 octahedra.
Zr5Sn3P crystallizes in the hexagonal P6_3/mcm space group. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 6-coordinate geometry to six equivalent Sn(1) atoms. All Zr(1)-Sn(1) bond lengths are 3.02 Å. In the second Zr site, Zr(2) is bonded in a 7-coordinate geometry to five equivalent Sn(1) and two equivalent P(1) atoms. There are three shorter (3.01 Å) and two longer (3.23 Å) Zr(2)-Sn(1) bond lengths. Both Zr(2)-P(1) bond lengths are 2.62 Å. Sn(1) is bonded in a 9-coordinate geometry to four equivalent Zr(1) and five equivalent Zr(2) atoms. P(1) is bonded to six equivalent Zr(2) atoms to form face-sharing PZr6 octahedra.