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Materials Data on ZnAu by Materials Project

AuZn is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Au is bonded in a body-centered cubic geometry to eight equivalent Zn atoms. All Au–Zn bond lengths are 2.77 Å. Zn is bonded in a body-centered cubic geometry to eight equivalent Au atoms.

36 MATERIALS SCIENCE↗

Materials Data on ZnAu3 by Materials Project

Au3Zn crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. there are three inequivalent Au sites. In the first Au site, Au is bonded in a distorted bent 120 degrees geometry to two equivalent Zn atoms. Both Au–Zn bond lengths are 2.72 Å. In the second Au site, Au is bonded in a distorted square co-planar geometry to four equivalent Zn atoms. There are two shorter (2.87 Å) and two longer (2.91 Å) Au–Zn bond lengths. In the third Au site, Au is bonded in a 12-coordinate geometry to four equivalent Zn atoms. There are two shorter (2.78 Å) and two longer (2.79 Å) Au–Zn bond lengths. Zn is bonded in a distorted q6 geometry to ten Au atoms.

36 MATERIALS SCIENCE↗

Materials Data on Zn3Au by Materials Project

AuZn3 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. there are two inequivalent Au sites. In the first Au site, Au is bonded to twelve equivalent Zn atoms to form a mixture of distorted face and edge-sharing AuZn12 cuboctahedra. There are four shorter (2.71 Å) and eight longer (2.87 Å) Au–Zn bond lengths. In the second Au site, Au is bonded to twelve equivalent Zn atoms to form face-sharing AuZn12 cuboctahedra. All Au–Zn bond lengths are 2.73 Å. Zn is bonded in a 4-coordinate geometry to four Au atoms.

36 MATERIALS SCIENCE↗

Materials Data on ZnAu3 by Materials Project

Au3Zn crystallizes in the tetragonal I4_1/acd space group. The structure is three-dimensional. there are three inequivalent Au sites. In the first Au site, Au is bonded in a distorted bent 120 degrees geometry to two equivalent Zn atoms. Both Au–Zn bond lengths are 2.74 Å. In the second Au site, Au is bonded in a 12-coordinate geometry to four equivalent Zn atoms. There are two shorter (2.79 Å) and two longer (2.80 Å) Au–Zn bond lengths. In the third Au site, Au is bonded in a distorted square co-planar geometry to four equivalent Zn atoms. All Au–Zn bond lengths are 2.87 Å. Zn is bonded in a distorted q6 geometry to ten Au atoms.

36 MATERIALS SCIENCE↗

Materials Data on ZnAu4 by Materials Project

Au4Zn crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two 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 Au+0.50- and three equivalent Zn2+ atoms. All Au–Au bond lengths are 2.98 Å. All Au–Zn bond lengths are 2.72 Å. In the second Au+0.50- site, Au+0.50- is bonded to twelve Au+0.50- atoms to form a mixture of face, edge, and corner-sharing AuAu12 cuboctahedra. There are three shorter (2.95 Å) and six longer (2.98 Å) Au–Au bond lengths. Zn2+ is bonded in a distorted hexagonal planar geometry to six equivalent Au+0.50- atoms.

36 MATERIALS SCIENCE↗

Materials Data on Zn3Au5 by Materials Project

Au5Zn3 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. there are eight inequivalent Au sites. In the first Au site, Au is bonded in a 6-coordinate geometry to six Zn atoms. There are a spread of Au–Zn bond distances ranging from 2.71–2.88 Å. In the second Au site, Au is bonded in a 12-coordinate geometry to five Zn atoms. There are a spread of Au–Zn bond distances ranging from 2.74–2.89 Å. In the third Au site, Au is bonded in a 12-coordinate geometry to six Zn atoms. There are a spread of Au–Zn bond distances ranging from 2.82–2.92 Å. In the fourth Au site, Au is bonded in a 12-coordinate geometry to five Zn atoms. There are a spread of Au–Zn bond distances ranging from 2.72–2.91 Å. In the fifth Au site, Au is bonded in a 12-coordinate geometry to five Zn atoms. There are a spread of Au–Zn bond distances ranging from 2.72–2.90 Å. In the sixth Au site, Au is bonded to six Zn atoms to form distorted corner-sharing AuZn6 cuboctahedra. There are two shorter (2.82 Å) and four longer (2.93 Å) Au–Zn bond lengths. In the seventh Au site, Au is bonded to six Zn atoms to form distorted corner-sharing AuZn6 cuboctahedra. There are two shorter (2.82 Å) and four longer (2.91 Å) Au–Zn bond lengths. In the eighth Au site, Au is bonded in a 6-coordinate geometry to six Zn atoms. There are a spread of Au–Zn bond distances ranging from 2.66–2.88 Å. There are five inequivalent Zn sites. In the first Zn site, Zn is bonded in a 10-coordinate geometry to ten Au atoms. In the second Zn site, Zn is bonded in a 10-coordinate geometry to ten Au atoms. In the third Zn site, Zn is bonded in a 8-coordinate geometry to eight Au atoms. In the fourth Zn site, Zn is bonded in a body-centered cubic geometry to eight Au atoms. In the fifth Zn site, Zn is bonded to eight Au atoms to form distorted corner-sharing ZnAu8 hexagonal bipyramids.

36 MATERIALS SCIENCE↗

Materials Data on Zn3Au by Materials Project

AuZn3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Au is bonded to twelve equivalent Zn atoms to form a mixture of face and corner-sharing AuZn12 cuboctahedra. There are six shorter (2.73 Å) and six longer (2.91 Å) Au–Zn bond lengths. Zn is bonded in a 12-coordinate geometry to four equivalent Au atoms.

36 MATERIALS SCIENCE↗