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Materials Data on MnAu3 by Materials Project

Au3Mn is Uranium Silicide structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Mn3+ is bonded to twelve Au1- atoms to form a mixture of corner and face-sharing MnAu12 cuboctahedra. There are four shorter (2.88 Å) and eight longer (2.89 Å) Mn–Au bond lengths. There are two inequivalent Au1- sites. In the first Au1- site, Au1- is bonded in a distorted square co-planar geometry to four equivalent Mn3+ atoms. In the second Au1- site, Au1- is bonded in a distorted square co-planar geometry to four equivalent Mn3+ atoms.

36 MATERIALS SCIENCE↗

Materials Data on MnAu3 by Materials Project

Au3Mn crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Mn3+ is bonded in a 6-coordinate geometry to six equivalent Au1- atoms. All Mn–Au bond lengths are 2.69 Å. There are five inequivalent Au1- sites. In the first Au1- site, Au1- is bonded in a 12-coordinate geometry to three equivalent Mn3+ and three equivalent Au1- atoms. All Au–Au bond lengths are 2.94 Å. In the second Au1- site, Au1- is bonded to twelve Au1- atoms to form a mixture of edge, corner, and face-sharing AuAu12 cuboctahedra. All Au–Au bond lengths are 3.05 Å. In the third Au1- site, Au1- is bonded in a 12-coordinate geometry to three equivalent Mn3+ and three equivalent Au1- atoms. All Au–Mn bond lengths are 2.69 Å. All Au–Au bond lengths are 2.94 Å. In the fourth Au1- site, Au1- is bonded to sixteen Au1- atoms to form a mixture of edge, corner, and face-sharing AuAu16 cuboctahedra. There are a spread of Au–Au bond distances ranging from 2.94–6.10 Å. In the fifth Au1- site, Au1- is bonded in a 12-coordinate geometry to three equivalent Mn3+ and three equivalent Au1- atoms. All Au–Mn bond lengths are 2.69 Å.

36 MATERIALS SCIENCE↗

Materials Data on MnAu3 by Materials Project

Au3Mn is Uranium Silicide-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Mn3+ is bonded to twelve equivalent Au1- atoms to form a mixture of face and corner-sharing MnAu12 cuboctahedra. There are six shorter (2.90 Å) and six longer (2.92 Å) Mn–Au bond lengths. Au1- is bonded in a distorted see-saw-like geometry to four equivalent Mn3+ atoms.

36 MATERIALS SCIENCE↗