Materials Data on Mg26Ag7 by Materials Project
Mg26Ag7 crystallizes in the cubic Fm-3 space group. The structure is three-dimensional. there are five inequivalent Mg sites. In the first Mg site, Mg is bonded in a distorted linear geometry to two Ag atoms. There are one shorter (2.72 Å) and one longer (2.91 Å) Mg–Ag bond lengths. In the second Mg site, Mg is bonded in a distorted linear geometry to two equivalent Ag atoms. Both Mg–Ag bond lengths are 2.80 Å. In the third Mg site, Mg is bonded to four Ag atoms to form a mixture of distorted edge and corner-sharing MgAg4 tetrahedra. There are one shorter (2.86 Å) and three longer (3.08 Å) Mg–Ag bond lengths. In the fourth Mg site, Mg is bonded in a q6 geometry to twelve equivalent Mg atoms. All Mg–Mg bond lengths are 3.21 Å. In the fifth Mg site, Mg is bonded in a 1-coordinate geometry to one Mg and three equivalent Ag atoms. There are a spread of Mg–Ag bond distances ranging from 2.78–3.10 Å. There are three inequivalent Ag sites. In the first Ag site, Ag is bonded in a 10-coordinate geometry to ten Mg atoms. In the second Ag site, Ag is bonded in a cuboctahedral geometry to twelve equivalent Mg atoms. In the third Ag site, Ag is bonded in a body-centered cubic geometry to eight equivalent Mg atoms.