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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on MgAu5 by Materials Project

MgAu5 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Mg2+ is bonded to twelve Au+0.40- atoms to form a mixture of edge and face-sharing MgAu12 cuboctahedra. All Mg–Au bond lengths are 2.94 Å. There are two inequivalent Au+0.40- sites. In the first Au+0.40- site, Au+0.40- is bonded in a distorted trigonal planar geometry to three equivalent Mg2+ atoms. In the second Au+0.40- site, Au+0.40- is bonded in a distorted water-like geometry to two equivalent Mg2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MgAu5 by Materials Project

MgAu5 crystallizes in the trigonal R32 space group. The structure is three-dimensional. Mg2+ is bonded to twelve Au+0.40- atoms to form a mixture of edge and corner-sharing MgAu12 cuboctahedra. There are six shorter (2.93 Å) and six longer (2.95 Å) Mg–Au bond lengths. There are two inequivalent Au+0.40- sites. In the first Au+0.40- site, Au+0.40- is bonded in a distorted bent 150 degrees geometry to two equivalent Mg2+ atoms. In the second Au+0.40- site, Au+0.40- is bonded in a distorted trigonal planar geometry to three equivalent Mg2+ atoms.

36 MATERIALS SCIENCE↗