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Materials Data on CdAu3 by Materials Project

Au3Cd is Uranium Silicide structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are two inequivalent Au sites. In the first Au site, Au is bonded in a distorted square co-planar geometry to four equivalent Cd atoms. All Au–Cd bond lengths are 2.98 Å. In the second Au site, Au is bonded in a distorted square co-planar geometry to four equivalent Cd atoms. All Au–Cd bond lengths are 2.98 Å. Cd is bonded to twelve Au atoms to form a mixture of corner and face-sharing CdAu12 cuboctahedra.

36 MATERIALS SCIENCE↗

Materials Data on CdAu by Materials Project

AuCd is beta-prime cadmium gold structured and crystallizes in the orthorhombic Pmma space group. The structure is three-dimensional. Au is bonded in a 8-coordinate geometry to eight equivalent Cd atoms. There are a spread of Au–Cd bond distances ranging from 2.97–3.03 Å. Cd is bonded in a 8-coordinate geometry to eight equivalent Au atoms.

36 MATERIALS SCIENCE↗

Materials Data on CdAu by Materials Project

AuCd is alpha iridium vanadium-like structured and crystallizes in the trigonal P31m space group. The structure is three-dimensional. there are four inequivalent Au sites. In the first Au site, Au is bonded in a distorted body-centered cubic geometry to eight Cd atoms. There are a spread of Au–Cd bond distances ranging from 2.94–3.04 Å. In the second Au site, Au is bonded in a 8-coordinate geometry to eight Cd atoms. There are a spread of Au–Cd bond distances ranging from 2.87–3.03 Å. In the third Au site, Au is bonded in a 8-coordinate geometry to eight Cd atoms. There are a spread of Au–Cd bond distances ranging from 2.87–3.08 Å. In the fourth Au site, Au is bonded in a 8-coordinate geometry to eight Cd atoms. There are a spread of Au–Cd bond distances ranging from 2.92–3.10 Å. There are four inequivalent Cd sites. In the first Cd site, Cd is bonded in a distorted body-centered cubic geometry to eight Au atoms. In the second Cd site, Cd is bonded in a 8-coordinate geometry to eight Au atoms. In the third Cd site, Cd is bonded in a distorted body-centered cubic geometry to eight Au atoms. In the fourth Cd site, Cd is bonded in a 8-coordinate geometry to eight Au atoms.

36 MATERIALS SCIENCE↗

Materials Data on CdAu by Materials Project

AuCd 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 Cd atoms. All Au–Cd bond lengths are 2.95 Å. Cd is bonded in a body-centered cubic geometry to eight equivalent Au atoms.

36 MATERIALS SCIENCE↗

Materials Data on Cd3Au by Materials Project

AuCd3 crystallizes in the hexagonal P6_3cm space group. The structure is three-dimensional. Au is bonded in a 10-coordinate geometry to ten Cd atoms. There are a spread of Au–Cd bond distances ranging from 2.82–3.28 Å. There are four inequivalent Cd sites. In the first Cd site, Cd is bonded in a 2-coordinate geometry to four equivalent Au atoms. In the second Cd site, Cd is bonded in a distorted trigonal non-coplanar geometry to three equivalent Au atoms. In the third Cd site, Cd is bonded in a trigonal planar geometry to three equivalent Au atoms. In the fourth Cd site, Cd is bonded in a distorted trigonal planar geometry to three equivalent Au atoms.

36 MATERIALS SCIENCE↗

Materials Data on Cd5Au3 by Materials Project

Au3Cd5 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Au sites. In the first Au site, Au is bonded in a 10-coordinate geometry to two equivalent Au and eight equivalent Cd atoms. Both Au–Au bond lengths are 2.74 Å. All Au–Cd bond lengths are 2.95 Å. In the second Au site, Au is bonded in a 10-coordinate geometry to ten Cd atoms. There are a spread of Au–Cd bond distances ranging from 2.88–3.14 Å. There are two inequivalent Cd sites. In the first Cd site, Cd is bonded in a 6-coordinate geometry to six Au atoms. In the second Cd site, Cd is bonded in a 4-coordinate geometry to four equivalent Au and two equivalent Cd atoms. Both Cd–Cd bond lengths are 2.74 Å.

36 MATERIALS SCIENCE↗

Materials Data on CdAu3 by Materials Project

Au3Cd is Uranium Silicide-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Au is bonded in a distorted see-saw-like geometry to four equivalent Cd atoms. There are two shorter (2.97 Å) and two longer (3.00 Å) Au–Cd bond lengths. Cd is bonded to twelve equivalent Au atoms to form a mixture of corner and face-sharing CdAu12 cuboctahedra.

36 MATERIALS SCIENCE↗

Materials Data on CdAu3 by Materials Project

Au3Cd is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Au sites. In the first Au site, Au is bonded to eight Au and four equivalent Cd atoms to form distorted AuCd4Au8 cuboctahedra that share corners with twelve equivalent AuCd4Au8 cuboctahedra, edges with eight equivalent AuCd4Au8 cuboctahedra, edges with eight equivalent CdAu12 cuboctahedra, faces with four equivalent CdAu12 cuboctahedra, and faces with ten equivalent AuCd4Au8 cuboctahedra. There are four shorter (2.94 Å) and four longer (3.00 Å) Au–Au bond lengths. All Au–Cd bond lengths are 3.00 Å. In the second Au site, Au is bonded in a distorted square co-planar geometry to eight equivalent Au and four equivalent Cd atoms. All Au–Cd bond lengths are 2.94 Å. Cd is bonded to twelve Au atoms to form CdAu12 cuboctahedra that share corners with four equivalent CdAu12 cuboctahedra, edges with eight equivalent CdAu12 cuboctahedra, edges with sixteen equivalent AuCd4Au8 cuboctahedra, faces with four equivalent CdAu12 cuboctahedra, and faces with eight equivalent AuCd4Au8 cuboctahedra.

36 MATERIALS SCIENCE↗

Materials Data on Cd3Au by Materials Project

AuCd3 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Au is bonded in a 4-coordinate geometry to four equivalent Cd atoms. All Au–Cd bond lengths are 2.85 Å. There are two inequivalent Cd sites. In the first Cd site, Cd is bonded in a 10-coordinate geometry to two equivalent Au and two equivalent Cd atoms. Both Cd–Cd bond lengths are 3.00 Å. In the second Cd site, Cd is bonded in a distorted q6 geometry to ten Cd atoms. There are two shorter (3.07 Å) and four longer (3.22 Å) Cd–Cd bond lengths.

36 MATERIALS SCIENCE↗

Materials Data on CdAu by Materials Project

AuCd crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Au is bonded in a 12-coordinate geometry to six equivalent Cd atoms. All Au–Cd bond lengths are 2.95 Å. Cd is bonded in a 12-coordinate geometry to six equivalent Au atoms.

36 MATERIALS SCIENCE↗

Materials Data on Cd8Au5 by Materials Project

Au5Cd8 is gamma-brass structured and crystallizes in the cubic I-43m space group. The structure is three-dimensional. there are two inequivalent Au sites. In the first Au site, Au is bonded in a 9-coordinate geometry to three equivalent Au and nine Cd atoms. All Au–Au bond lengths are 3.12 Å. There are a spread of Au–Cd bond distances ranging from 2.93–3.01 Å. In the second Au site, Au is bonded in a 4-coordinate geometry to three Au and ten Cd atoms. The Au–Au bond length is 2.88 Å. There are a spread of Au–Cd bond distances ranging from 2.88–3.24 Å. There are two inequivalent Cd sites. In the first Cd site, Cd is bonded in a distorted hexagonal planar geometry to six Au and three equivalent Cd atoms. All Cd–Cd bond lengths are 3.02 Å. In the second Cd site, Cd is bonded in a 11-coordinate geometry to six Au and five Cd atoms. All Cd–Cd bond lengths are 3.02 Å.

36 MATERIALS SCIENCE↗

Materials Data on Cd3Au8 by Materials Project

Au8Cd3 crystallizes in the trigonal P3m1 space group. The structure is two-dimensional and consists of one Au8Cd3 sheet oriented in the (0, 0, 1) direction. there are eight inequivalent Au+0.75- sites. In the first Au+0.75- site, Au+0.75- is bonded to twelve Au+0.75- atoms to form AuAu12 cuboctahedra that share corners with eighteen AuCd3Au3 cuboctahedra, edges with eighteen AuCd3Au3 cuboctahedra, and faces with thirteen AuAu12 cuboctahedra. There are six shorter (2.94 Å) and six longer (3.02 Å) Au–Au bond lengths. In the second Au+0.75- site, Au+0.75- is bonded to twelve Au+0.75- atoms to form a mixture of corner, edge, and face-sharing AuAu12 cuboctahedra. There are a spread of Au–Au bond distances ranging from 2.93–3.02 Å. In the third Au+0.75- site, Au+0.75- is bonded in a distorted q6 geometry to nine Au+0.75- atoms. All Au–Au bond lengths are 3.02 Å. In the fourth Au+0.75- site, Au+0.75- is bonded in a 9-coordinate geometry to three equivalent Cd2+ atoms. All Au–Cd bond lengths are 2.96 Å. In the fifth Au+0.75- site, Au+0.75- is bonded to six Cd2+ atoms to form a mixture of distorted corner, edge, and face-sharing AuCd6 cuboctahedra. There are three shorter (2.94 Å) and three longer (2.96 Å) Au–Cd bond lengths. In the sixth Au+0.75- site, Au+0.75- is bonded to six Cd2+ atoms to form distorted AuCd6 cuboctahedra that share corners with twelve AuCd3Au3 cuboctahedra, edges with six equivalent AuCd6 cuboctahedra, and faces with two AuCd3Au3 cuboctahedra. There are three shorter (2.95 Å) and three longer (2.96 Å) Au–Cd bond lengths. In the seventh Au+0.75- site, Au+0.75- is bonded to three equivalent Au+0.75- and three equivalent Cd2+ atoms to form distorted AuCd3Au3 cuboctahedra that share corners with eighteen AuCd6 cuboctahedra, edges with twelve AuCd3Au3 cuboctahedra, and faces with two AuCd6 cuboctahedra. All Au–Cd bond lengths are 2.95 Å. In the eighth Au+0.75- site, Au+0.75- is bonded to twelve Au+0.75- atoms to form AuAu12 cuboctahedra that share corners with twelve AuCd3Au3 cuboctahedra, edges with eighteen AuAu12 cuboctahedra, and faces with nineteen AuAu12 cuboctahedra. All Au–Au bond lengths are 3.02 Å. There are three inequivalent Cd2+ sites. In the first Cd2+ site, Cd2+ is bonded in a 6-coordinate geometry to six Au+0.75- atoms. In the second Cd2+ site, Cd2+ is bonded in a 6-coordinate geometry to six Au+0.75- atoms. In the third Cd2+ site, Cd2+ is bonded in a 6-coordinate geometry to six Au+0.75- atoms.

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