Zr4Pt2N crystallizes in the cubic Fd-3m 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 Pt(1) atoms. In the second Zr site, Zr(2) is bonded in a 2-coordinate geometry to four equivalent Pt(1) and two equivalent N(1) atoms. Pt(1) is bonded in a 9-coordinate geometry to three equivalent Zr(1) and six equivalent Zr(2) atoms. N(1) is bonded to six equivalent Zr(2) atoms to form corner-sharing NZr6 octahedra. The corner-sharing octahedral tilt angles are 36°.
Zr4Pt2N crystallizes in the cubic Fd-3m 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 Pt(1) atoms. All Zr(1)-Pt(1) bond lengths are 2.80 Å. In the second Zr site, Zr(2) is bonded in a 2-coordinate geometry to four equivalent Pt(1) and two equivalent N(1) atoms. There are two shorter (2.77 Å) and two longer (3.25 Å) Zr(2)-Pt(1) bond lengths. Both Zr(2)-N(1) bond lengths are 2.33 Å. Pt(1) is bonded in a 9-coordinate geometry to three equivalent Zr(1) and six equivalent Zr(2) atoms. N(1) is bonded to six equivalent Zr(2) atoms to form corner-sharing NZr6 octahedra. The corner-sharing octahedral tilt angles are 36°.