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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

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↗
DOE OSTI2020

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↗
DOE OSTI2020

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↗
DOE OSTI2020

Materials Data on Yb20(CdAu3)3 by Materials Project

Yb20(Au3Cd)3 crystallizes in the tetragonal P422 space group. The structure is three-dimensional. there are four inequivalent Yb sites. In the first Yb site, Yb is bonded in a 4-coordinate geometry to four equivalent Au and two Cd atoms. All Yb–Au bond lengths are 3.11 Å. There are one shorter (3.49 Å) and one longer (3.58 Å) Yb–Cd bond lengths. In the second Yb site, Yb is bonded in a 6-coordinate geometry to five Au and one Cd atom. There are four shorter (3.12 Å) and one longer (3.51 Å) Yb–Au bond lengths. The Yb–Cd bond length is 3.56 Å. In the third Yb site, Yb is bonded in a 5-coordinate geometry to four Au and one Cd atom. There are a spread of Yb–Au bond distances ranging from 3.01–3.29 Å. The Yb–Cd bond length is 3.42 Å. In the fourth Yb site, Yb is bonded in a 5-coordinate geometry to three equivalent Au and two Cd atoms. There are a spread of Yb–Au bond distances ranging from 3.01–3.10 Å. There are one shorter (3.38 Å) and one longer (3.39 Å) Yb–Cd bond lengths. There are two inequivalent Au sites. In the first Au site, Au is bonded in a 8-coordinate geometry to eight Yb atoms. In the second Au site, Au is bonded in a 10-coordinate geometry to ten Yb atoms. There are three inequivalent Cd sites. In the first Cd site, Cd is bonded in a 10-coordinate geometry to ten Yb atoms. In the second Cd site, Cd is bonded in a distorted q6 geometry to ten Yb atoms. In the third Cd site, Cd is bonded in a 10-coordinate geometry to ten Yb atoms.

36 MATERIALS SCIENCE↗