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Materials Data on In2Au by Materials Project

AuIn2 is Fluorite structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Au is bonded in a body-centered cubic geometry to eight equivalent In atoms. All Au–In bond lengths are 2.90 Å. In is bonded to four equivalent Au atoms to form a mixture of edge and corner-sharing InAu4 tetrahedra.

36 MATERIALS SCIENCE↗

Materials Data on Cu3Au by Materials Project

Cu3Au is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Au is bonded to twelve equivalent Cu atoms to form AuCu12 cuboctahedra that share corners with twelve equivalent AuCu12 cuboctahedra, edges with twenty-four equivalent CuCu8Au4 cuboctahedra, faces with six equivalent AuCu12 cuboctahedra, and faces with twelve equivalent CuCu8Au4 cuboctahedra. All Au–Cu bond lengths are 2.67 Å. Cu is bonded to four equivalent Au and eight equivalent Cu atoms to form distorted CuCu8Au4 cuboctahedra that share corners with twelve equivalent CuCu8Au4 cuboctahedra, edges with eight equivalent AuCu12 cuboctahedra, edges with sixteen equivalent CuCu8Au4 cuboctahedra, faces with four equivalent AuCu12 cuboctahedra, and faces with fourteen equivalent CuCu8Au4 cuboctahedra. All Cu–Cu bond lengths are 2.67 Å.

36 MATERIALS SCIENCE↗

Materials Data on Al2Au by Materials Project

AuAl2 is Fluorite structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Au is bonded in a body-centered cubic geometry to eight equivalent Al atoms. All Au–Al bond lengths are 2.63 Å. Al is bonded to four equivalent Au atoms to form a mixture of corner and edge-sharing AlAu4 tetrahedra.

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Materials Data on Ga2Au by Materials Project

AuGa2 is Fluorite structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Au is bonded in a body-centered cubic geometry to eight equivalent Ga atoms. All Au–Ga bond lengths are 2.70 Å. Ga is bonded to four equivalent Au atoms to form a mixture of corner and edge-sharing GaAu4 tetrahedra.

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Materials Data on Zn2AgAu by Materials Project

AuAgZn2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Au is bonded in a body-centered cubic geometry to six equivalent Ag and eight equivalent Zn atoms. All Au–Ag bond lengths are 3.19 Å. All Au–Zn bond lengths are 2.76 Å. Ag is bonded in a distorted body-centered cubic geometry to six equivalent Au and eight equivalent Zn atoms. All Ag–Zn bond lengths are 2.76 Å. Zn is bonded in a body-centered cubic geometry to four equivalent Au and four equivalent Ag atoms.

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Materials Data on Hg3Au by Materials Project

AuHg3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Au is bonded to twelve equivalent Hg atoms to form AuHg12 cuboctahedra that share corners with twelve equivalent AuHg12 cuboctahedra, edges with twenty-four equivalent HgHg8Au4 cuboctahedra, faces with six equivalent AuHg12 cuboctahedra, and faces with twelve equivalent HgHg8Au4 cuboctahedra. All Au–Hg bond lengths are 3.19 Å. Hg is bonded to four equivalent Au and eight equivalent Hg atoms to form distorted HgHg8Au4 cuboctahedra that share corners with twelve equivalent HgHg8Au4 cuboctahedra, edges with eight equivalent AuHg12 cuboctahedra, edges with sixteen equivalent HgHg8Au4 cuboctahedra, faces with four equivalent AuHg12 cuboctahedra, and faces with fourteen equivalent HgHg8Au4 cuboctahedra. All Hg–Hg bond lengths are 3.19 Å.

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Materials Data on Ga3Au by Materials Project

AuGa3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Au is bonded in a body-centered cubic geometry to eight equivalent Ga atoms. All Au–Ga bond lengths are 2.89 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a distorted body-centered cubic geometry to four equivalent Au and four equivalent Ga atoms. All Ga–Ga bond lengths are 2.89 Å. In the second Ga site, Ga is bonded in a distorted body-centered cubic geometry to eight equivalent Ga atoms.

36 MATERIALS SCIENCE↗

Materials Data on Tl3Au by Materials Project

AuTl3 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. Au is bonded to twelve equivalent Tl atoms to form a mixture of edge and face-sharing AuTl12 cuboctahedra. All Au–Tl bond lengths are 3.40 Å. Tl is bonded in a 6-coordinate geometry to four equivalent Au and two equivalent Tl atoms. Both Tl–Tl bond lengths are 3.04 Å.

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Materials Data on TlAu3 by Materials Project

Au3Tl is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Au+0.33- is bonded in a distorted square co-planar geometry to four equivalent Tl1+ atoms. All Au–Tl bond lengths are 3.06 Å. Tl1+ is bonded to twelve equivalent Au+0.33- atoms to form a mixture of corner and face-sharing TlAu12 cuboctahedra.

36 MATERIALS SCIENCE↗

Materials Data on Ag3Au by Materials Project

AuAg3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Au is bonded to twelve equivalent Ag atoms to form AuAg12 cuboctahedra that share corners with twelve equivalent AuAg12 cuboctahedra, edges with twenty-four equivalent AgAg8Au4 cuboctahedra, faces with six equivalent AuAg12 cuboctahedra, and faces with twelve equivalent AgAg8Au4 cuboctahedra. All Au–Ag bond lengths are 2.94 Å. Ag is bonded to four equivalent Au and eight equivalent Ag atoms to form distorted AgAg8Au4 cuboctahedra that share corners with twelve equivalent AgAg8Au4 cuboctahedra, edges with eight equivalent AuAg12 cuboctahedra, edges with sixteen equivalent AgAg8Au4 cuboctahedra, faces with four equivalent AuAg12 cuboctahedra, and faces with fourteen equivalent AgAg8Au4 cuboctahedra. All Ag–Ag bond lengths are 2.94 Å.

36 MATERIALS SCIENCE↗

Materials Data on Cu4Au by Materials Project

AuCu4 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Au is bonded to six equivalent Au and six equivalent Cu atoms to form distorted AuCu6Au6 cuboctahedra that share corners with six equivalent AuCu6Au6 cuboctahedra, corners with six CuCu12 cuboctahedra, edges with six equivalent AuCu6Au6 cuboctahedra, edges with eighteen CuCu9Au3 cuboctahedra, faces with six equivalent AuCu6Au6 cuboctahedra, and faces with twelve equivalent CuCu9Au3 cuboctahedra. All Au–Au bond lengths are 2.71 Å. All Au–Cu bond lengths are 2.77 Å. There are six inequivalent Cu sites. In the first Cu site, Cu is bonded to three equivalent Au and nine Cu atoms to form distorted CuCu9Au3 cuboctahedra that share corners with twelve CuCu9Au3 cuboctahedra, edges with six equivalent AuCu6Au6 cuboctahedra, edges with eighteen CuCu9Au3 cuboctahedra, faces with six equivalent AuCu6Au6 cuboctahedra, and faces with twelve CuCu9Au3 cuboctahedra. There are three shorter (2.53 Å) and six longer (2.71 Å) Cu–Cu bond lengths. In the second Cu site, Cu is bonded to twelve Cu atoms to form CuCu12 cuboctahedra that share corners with three equivalent AuCu6Au6 cuboctahedra, corners with nine CuCu9Au3 cuboctahedra, edges with three equivalent AuCu6Au6 cuboctahedra, edges with twenty-one CuCu9Au3 cuboctahedra, and faces with eighteen CuCu9Au3 cuboctahedra. There are three shorter (2.52 Å) and six longer (2.71 Å) Cu–Cu bond lengths. In the third Cu site, Cu is bonded to twelve Cu atoms to form CuCu12 cuboctahedra that share corners with three equivalent AuCu6Au6 cuboctahedra, corners with nine CuCu9Au3 cuboctahedra, edges with three equivalent AuCu6Au6 cuboctahedra, edges with twenty-one CuCu9Au3 cuboctahedra, and faces with eighteen CuCu9Au3 cuboctahedra. There are three shorter (2.53 Å) and six longer (2.71 Å) Cu–Cu bond lengths. In the fourth Cu site, Cu is bonded to twelve Cu atoms to form CuCu12 cuboctahedra that share corners with three equivalent AuCu6Au6 cuboctahedra, corners with nine CuCu9Au3 cuboctahedra, edges with three equivalent AuCu6Au6 cuboctahedra, edges with twenty-one CuCu9Au3 cuboctahedra, and faces with eighteen CuCu9Au3 cuboctahedra. There are a spread of Cu–Cu bond distances ranging from 2.52–2.71 Å. In the fifth Cu site, Cu is bonded to twelve Cu atoms to form CuCu12 cuboctahedra that share corners with three equivalent AuCu6Au6 cuboctahedra, corners with nine CuCu9Au3 cuboctahedra, edges with three equivalent AuCu6Au6 cuboctahedra, edges with twenty-one CuCu9Au3 cuboctahedra, and faces with eighteen CuCu9Au3 cuboctahedra. There are three shorter (2.53 Å) and six longer (2.71 Å) Cu–Cu bond lengths. In the sixth Cu site, Cu is bonded to twelve Cu atoms to form CuCu12 cuboctahedra that share corners with three equivalent AuCu6Au6 cuboctahedra, corners with nine CuCu9Au3 cuboctahedra, edges with three equivalent AuCu6Au6 cuboctahedra, edges with twenty-one CuCu9Au3 cuboctahedra, and faces with eighteen CuCu9Au3 cuboctahedra. There are a spread of Cu–Cu bond distances ranging from 2.52–2.71 Å.

36 MATERIALS SCIENCE↗

Materials Data on Tl3Au by Materials Project

AuTl3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Au is bonded to twelve equivalent Tl atoms to form a mixture of face and corner-sharing AuTl12 cuboctahedra. All Au–Tl bond lengths are 3.39 Å. Tl is bonded in a distorted square co-planar geometry to four equivalent Au atoms.

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Analysis of X-Ray Microradiographs of Al-Au Interface Quench Profile using Modeling of Solidification Including Double-Diffusion and Convection in the Melt

Experimental data on Al-0.8Au horizontal solidification of a 1 mm thick specimen in a BN crucible shows the effect of growth rate on the solidification interface shape. For translation rates below 0.5 micron/s the interface maintains a plain and flat shape. When the translation rate is 3 to 5 micron/s or more, the interface appearance changes to two planar zones, with the zone closer to the bottom having higher inclination. The interface shapes were measured by first quenching in place during growth. X-ray microscopy shows the interface shape within the quenched sample by viewing through the side of the specimen. In order to provide theoretical explanation of the phenomena, numerical modeling was undertaken using finite element code FIDAP. Double diffusion convection in Al-0.8Au melt and crystal-melt interface curvature during directional solidification was analyzed numerically. Actual thermophysical properties of Al-0.8Au including the binary Al-Au phase diagram were used. Although convection in the sample is weak, for the slower translation rate convection and diffusion is sufficient for the redistribution of initial compositional stratification caused by gravity. When translation rate is raised, neither convection nor diffusion can provide proper mixing so that solidification temperatures differ significantly near the bottom within the bulk of the sample. As a result, the solid-liquid interface appears to have two planar zones with different inclination.

Bune, Andris V.↗

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.

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Materials Data on P3Au2 by Materials Project

Au2P3 crystallizes in the monoclinic C2/m 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 distorted linear geometry to four P+0.33- atoms. There are two shorter (2.37 Å) and two longer (3.08 Å) Au–P bond lengths. In the second Au+0.50+ site, Au+0.50+ is bonded in a linear geometry to two equivalent P+0.33- atoms. Both Au–P bond lengths are 2.37 Å. There are two inequivalent P+0.33- sites. In the first P+0.33- site, P+0.33- is bonded in a 5-coordinate geometry to two equivalent Au+0.50+ and three P+0.33- atoms. There are two shorter (2.24 Å) and one longer (2.27 Å) P–P bond lengths. In the second P+0.33- site, P+0.33- is bonded to two Au+0.50+ and two P+0.33- atoms to form corner-sharing PP2Au2 tetrahedra. The P–P bond length is 2.22 Å.

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Materials Data on Pb3Au by Materials Project

AuPb3 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. there are three inequivalent Au sites. In the first Au site, Au is bonded in a 8-coordinate geometry to eight Pb atoms. There are a spread of Au–Pb bond distances ranging from 3.05–3.14 Å. In the second Au site, Au is bonded in a 8-coordinate geometry to eight Pb atoms. There are a spread of Au–Pb bond distances ranging from 3.05–3.14 Å. In the third Au site, Au is bonded in a 8-coordinate geometry to eight Pb atoms. There are a spread of Au–Pb bond distances ranging from 3.05–3.14 Å. There are seven inequivalent Pb sites. In the first Pb site, Pb is bonded in a 4-coordinate geometry to four Au atoms. In the second Pb site, Pb is bonded in a 4-coordinate geometry to four Au atoms. In the third Pb site, Pb is bonded in a 4-coordinate geometry to four Au atoms. In the fourth Pb site, Pb is bonded in a 2-coordinate geometry to two Au atoms. In the fifth Pb site, Pb is bonded in a 2-coordinate geometry to two Au atoms. In the sixth Pb site, Pb is bonded in a distorted bent 120 degrees geometry to two Au atoms. In the seventh Pb site, Pb is bonded in a distorted bent 120 degrees geometry to two Au atoms.

36 MATERIALS SCIENCE↗

Materials Data on SnAu5 by Materials Project

Au5Sn crystallizes in the trigonal R32 space group. The structure is three-dimensional. there are ten inequivalent Au+0.40- sites. In the first Au+0.40- site, Au+0.40- is bonded to nine Au+0.40- and three equivalent Sn2+ atoms to form distorted AuSn3Au9 cuboctahedra that share corners with six equivalent SnAu12 cuboctahedra, corners with twelve AuSn3Au9 cuboctahedra, edges with eighteen AuSn3Au9 cuboctahedra, faces with four equivalent SnAu12 cuboctahedra, and faces with sixteen AuSn2Au10 cuboctahedra. There are a spread of Au–Au bond distances ranging from 2.96–3.02 Å. All Au–Sn bond lengths are 3.00 Å. In the second Au+0.40- site, Au+0.40- is bonded to ten Au+0.40- and two equivalent Sn2+ atoms to form distorted AuSn2Au10 cuboctahedra that share corners with eighteen AuSn2Au10 cuboctahedra, edges with four equivalent SnAu12 cuboctahedra, edges with fourteen AuSn3Au9 cuboctahedra, faces with four equivalent SnAu12 cuboctahedra, and faces with sixteen AuSn3Au9 cuboctahedra. There are a spread of Au–Au bond distances ranging from 2.95–3.03 Å. Both Au–Sn bond lengths are 3.00 Å. In the third Au+0.40- site, Au+0.40- is bonded to ten Au+0.40- and two equivalent Sn2+ atoms to form distorted AuSn2Au10 cuboctahedra that share corners with eighteen AuSn2Au10 cuboctahedra, edges with four equivalent SnAu12 cuboctahedra, edges with fourteen AuSn3Au9 cuboctahedra, faces with four equivalent SnAu12 cuboctahedra, and faces with sixteen AuSn3Au9 cuboctahedra. There are one shorter (2.96 Å) and two longer (3.02 Å) Au–Au bond lengths. Both Au–Sn bond lengths are 3.00 Å. In the fourth Au+0.40- site, Au+0.40- is bonded to nine Au+0.40- and three equivalent Sn2+ atoms to form distorted AuSn3Au9 cuboctahedra that share corners with six equivalent SnAu12 cuboctahedra, corners with twelve AuSn3Au9 cuboctahedra, edges with eighteen AuSn2Au10 cuboctahedra, faces with four equivalent SnAu12 cuboctahedra, and faces with sixteen AuSn2Au10 cuboctahedra. There are three shorter (3.01 Å) and two longer (3.02 Å) Au–Au bond lengths. All Au–Sn bond lengths are 3.00 Å. In the fifth Au+0.40- site, Au+0.40- is bonded to nine Au+0.40- and three equivalent Sn2+ atoms to form distorted AuSn3Au9 cuboctahedra that share corners with six equivalent SnAu12 cuboctahedra, corners with twelve AuSn3Au9 cuboctahedra, edges with eighteen AuSn3Au9 cuboctahedra, faces with four equivalent SnAu12 cuboctahedra, and faces with sixteen AuSn2Au10 cuboctahedra. Both Au–Au bond lengths are 2.96 Å. All Au–Sn bond lengths are 3.00 Å. In the sixth Au+0.40- site, Au+0.40- is bonded to ten Au+0.40- and two equivalent Sn2+ atoms to form distorted AuSn2Au10 cuboctahedra that share corners with eighteen AuSn2Au10 cuboctahedra, edges with four equivalent SnAu12 cuboctahedra, edges with fourteen AuSn3Au9 cuboctahedra, faces with four equivalent SnAu12 cuboctahedra, and faces with sixteen AuSn2Au10 cuboctahedra. There are a spread of Au–Au bond distances ranging from 2.95–3.03 Å. Both Au–Sn bond lengths are 3.00 Å. In the seventh Au+0.40- site, Au+0.40- is bonded to nine Au+0.40- and three equivalent Sn2+ atoms to form distorted AuSn3Au9 cuboctahedra that share corners with six equivalent SnAu12 cuboctahedra, corners with twelve AuSn3Au9 cuboctahedra, edges with eighteen AuSn2Au10 cuboctahedra, faces with four equivalent SnAu12 cuboctahedra, and faces with sixteen AuSn3Au9 cuboctahedra. There are a spread of Au–Au bond distances ranging from 2.96–3.02 Å. All Au–Sn bond lengths are 3.00 Å. In the eighth Au+0.40- site, Au+0.40- is bonded to nine Au+0.40- and three equivalent Sn2+ atoms to form distorted AuSn3Au9 cuboctahedra that share corners with six equivalent SnAu12 cuboctahedra, corners with twelve AuSn3Au9 cuboctahedra, edges with eighteen AuSn2Au10 cuboctahedra, faces with four equivalent SnAu12 cuboctahedra, and faces with sixteen AuSn2Au10 cuboctahedra. There are two shorter (2.96 Å) and one longer (3.02 Å) Au–Au bond lengths. All Au–Sn bond lengths are 3.00 Å. In the ninth Au+0.40- site, Au+0.40- is bonded to ten Au+0.40- and two equivalent Sn2+ atoms to form distorted AuSn2Au10 cuboctahedra that share corners with eighteen AuSn2Au10 cuboctahedra, edges with four equivalent SnAu12 cuboctahedra, edges with fourteen AuSn3Au9 cuboctahedra, faces with four equivalent SnAu12 cuboctahedra, and faces with sixteen AuSn3Au9 cuboctahedra. There are a spread of Au–Au bond distances ranging from 2.95–3.03 Å. Both Au–Sn bond lengths are 3.00 Å. In the tenth Au+0.40- site, Au+0.40- is bonded to nine Au+0.40- and three equivalent Sn2+ atoms to form distorted AuSn3Au9 cuboctahedra that share corners with six equivalent SnAu12 cuboctahedra, corners with twelve AuSn3Au9 cuboctahedra, edges with eighteen AuSn2Au10 cuboctahedra, faces with four equivalent SnAu12 cuboctahedra, and faces with sixteen AuSn3Au9 cuboctahedra. The Au–Au bond length is 2.96 Å. All Au–Sn bond lengths are 3.00 Å. Sn2+ is bonded to twelve Au+0.40- atoms to form SnAu12 cuboctahedra that share corners with six equivalent SnAu12 cuboctahedra, corners with twelve AuSn3Au9 cuboctahedra, edges with six equivalent SnAu12 cuboctahedra, edges with twelve AuSn2Au10 cuboctahedra, and faces with twenty AuSn3Au9 cuboctahedra.

36 MATERIALS SCIENCE↗

Materials Data on AlAu2 by Materials Project

Au2Al crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. there are five inequivalent Au sites. In the first Au site, Au is bonded in a 4-coordinate geometry to five Al atoms. There are a spread of Au–Al bond distances ranging from 2.75–3.12 Å. In the second Au site, Au is bonded in a 4-coordinate geometry to four Al atoms. There are two shorter (2.70 Å) and two longer (2.74 Å) Au–Al bond lengths. In the third Au site, Au is bonded in a 5-coordinate geometry to five Al atoms. There are a spread of Au–Al bond distances ranging from 2.69–2.82 Å. In the fourth Au site, Au is bonded in a 4-coordinate geometry to four Al atoms. All Au–Al bond lengths are 2.73 Å. In the fifth Au site, Au is bonded in a 5-coordinate geometry to five Al atoms. There are a spread of Au–Al bond distances ranging from 2.79–2.85 Å. There are three inequivalent Al sites. In the first Al site, Al is bonded in a 8-coordinate geometry to ten Au atoms. In the second Al site, Al is bonded in a distorted q6 geometry to nine Au atoms. In the third Al site, Al is bonded in a distorted q6 geometry to nine Au atoms.

36 MATERIALS SCIENCE↗