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Materials Data on LaCd2Pd by Materials Project

LaPdCd2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. La is bonded in a 3-coordinate geometry to three equivalent Pd and ten equivalent Cd atoms. There are one shorter (2.91 Å) and two longer (3.08 Å) La–Pd bond lengths. There are a spread of La–Cd bond distances ranging from 3.44–3.51 Å. Pd is bonded in a 9-coordinate geometry to three equivalent La and six equivalent Cd atoms. There are four shorter (2.89 Å) and two longer (2.91 Å) Pd–Cd bond lengths. Cd is bonded in a 3-coordinate geometry to five equivalent La and three equivalent Pd atoms.

36 MATERIALS SCIENCE↗

Materials Data on LaCdPd by Materials Project

LaPdCd crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. La is bonded in a 11-coordinate geometry to five Pd and six equivalent Cd atoms. There are four shorter (3.15 Å) and one longer (3.20 Å) La–Pd bond lengths. There are two shorter (3.39 Å) and four longer (3.48 Å) La–Cd bond lengths. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 9-coordinate geometry to three equivalent La and six equivalent Cd atoms. All Pd–Cd bond lengths are 2.84 Å. In the second Pd site, Pd is bonded in a 9-coordinate geometry to six equivalent La and three equivalent Cd atoms. All Pd–Cd bond lengths are 3.00 Å. Cd is bonded in a 4-coordinate geometry to six equivalent La and four Pd atoms.

36 MATERIALS SCIENCE↗

Materials Data on La4CdPd by Materials Project

La4PdCd crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are three inequivalent La sites. In the first La site, La is bonded in a 3-coordinate geometry to three equivalent Pd and three equivalent Cd atoms. All La–Pd bond lengths are 3.00 Å. All La–Cd bond lengths are 3.63 Å. In the second La site, La is bonded in a distorted bent 150 degrees geometry to two equivalent Pd and two equivalent Cd atoms. Both La–Pd bond lengths are 3.00 Å. Both La–Cd bond lengths are 3.68 Å. In the third La site, La is bonded in a 4-coordinate geometry to two equivalent Pd and two equivalent Cd atoms. Both La–Pd bond lengths are 3.71 Å. Both La–Cd bond lengths are 3.48 Å. Pd is bonded in a 6-coordinate geometry to nine La atoms. Cd is bonded to nine La and three equivalent Cd atoms to form a mixture of distorted face and corner-sharing CdLa9Cd3 cuboctahedra. All Cd–Cd bond lengths are 3.29 Å.

36 MATERIALS SCIENCE↗

Materials Data on La2CdPd2 by Materials Project

La2Pd2Cd crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. La is bonded in a 6-coordinate geometry to six equivalent Pd and four equivalent Cd atoms. There are two shorter (2.98 Å) and four longer (3.15 Å) La–Pd bond lengths. All La–Cd bond lengths are 3.53 Å. Pd is bonded in a 9-coordinate geometry to six equivalent La, one Pd, and two equivalent Cd atoms. The Pd–Pd bond length is 2.80 Å. Both Pd–Cd bond lengths are 3.12 Å. Cd is bonded to eight equivalent La and four equivalent Pd atoms to form a mixture of corner and face-sharing CdLa8Pd4 cuboctahedra.

36 MATERIALS SCIENCE↗