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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

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↗
DOE OSTI2020

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↗