MgZr3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. Mg(1) is bonded in a distorted body-centered cubic geometry to six equivalent Zr(1) and eight equivalent Zr(2) atoms. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a distorted body-centered cubic geometry to six equivalent Mg(1) and eight equivalent Zr(2) atoms. In the second Zr site, Zr(2) is bonded in a distorted body-centered cubic geometry to four equivalent Mg(1) and four equivalent Zr(1) atoms.
MgZr3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. Mg(1) is bonded in a distorted body-centered cubic geometry to six equivalent Zr(1) and eight equivalent Zr(2) atoms. All Mg(1)-Zr(1) bond lengths are 3.55 Å. All Mg(1)-Zr(2) bond lengths are 3.07 Å. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a distorted body-centered cubic geometry to six equivalent Mg(1) and eight equivalent Zr(2) atoms. All Zr(1)-Zr(2) bond lengths are 3.07 Å. In the second Zr site, Zr(2) is bonded in a distorted body-centered cubic geometry to four equivalent Mg(1) and four equivalent Zr(1) atoms.