Origin of hetero-nuclear Au-Co dual atoms for efficient acidic oxygen reduction
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Kong, Fanpeng↗
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Materials Data on CoAu3 by Materials Project
Au3Co is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Co3+ is bonded to twelve equivalent Au1- atoms to form CoAu12 cuboctahedra that share corners with twelve equivalent CoAu12 cuboctahedra, edges with twenty-four equivalent AuCo4Au8 cuboctahedra, faces with six equivalent CoAu12 cuboctahedra, and faces with twelve equivalent AuCo4Au8 cuboctahedra. All Co–Au bond lengths are 2.85 Å. Au1- is bonded to four equivalent Co3+ and eight equivalent Au1- atoms to form distorted AuCo4Au8 cuboctahedra that share corners with twelve equivalent AuCo4Au8 cuboctahedra, edges with eight equivalent CoAu12 cuboctahedra, edges with sixteen equivalent AuCo4Au8 cuboctahedra, faces with four equivalent CoAu12 cuboctahedra, and faces with fourteen equivalent AuCo4Au8 cuboctahedra. All Au–Au bond lengths are 2.85 Å.
36 MATERIALS SCIENCE↗
Materials Data on CoAu4 by Materials Project
CoAu4 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Co2+ is bonded in a distorted hexagonal planar geometry to six equivalent Au+0.50- atoms. All Co–Au bond lengths are 2.69 Å. There are five inequivalent Au+0.50- sites. In the first Au+0.50- site, Au+0.50- is bonded in a 12-coordinate geometry to three equivalent Co2+ and three equivalent Au+0.50- atoms. All Au–Au bond lengths are 3.00 Å. In the second Au+0.50- site, Au+0.50- is bonded to twelve Au+0.50- atoms to form a mixture of corner, edge, and face-sharing AuAu12 cuboctahedra. There are six shorter (2.91 Å) and three longer (3.00 Å) Au–Au bond lengths. In the third Au+0.50- site, Au+0.50- is bonded to twelve Au+0.50- atoms to form a mixture of corner, edge, and face-sharing AuAu12 cuboctahedra. There are six shorter (2.91 Å) and six longer (3.00 Å) Au–Au bond lengths. In the fourth Au+0.50- site, Au+0.50- is bonded to sixteen Au+0.50- atoms to form a mixture of corner, edge, and face-sharing AuAu16 cuboctahedra. There are a spread of Au–Au bond distances ranging from 2.91–5.81 Å. In the fifth Au+0.50- site, Au+0.50- is bonded in a 12-coordinate geometry to three equivalent Co2+ and three equivalent Au+0.50- atoms. All Au–Co bond lengths are 2.69 Å.
36 MATERIALS SCIENCE↗