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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Cd3Pd by Materials Project

PdCd3 is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Pd is bonded to twelve Cd atoms to form PdCd12 cuboctahedra that share corners with four equivalent PdCd12 cuboctahedra, edges with eight equivalent PdCd12 cuboctahedra, edges with sixteen equivalent CdCd8Pd4 cuboctahedra, faces with four equivalent PdCd12 cuboctahedra, and faces with eight equivalent CdCd8Pd4 cuboctahedra. There are four shorter (2.94 Å) and eight longer (3.06 Å) Pd–Cd bond lengths. There are two inequivalent Cd sites. In the first Cd site, Cd is bonded to four equivalent Pd and eight Cd atoms to form distorted CdCd8Pd4 cuboctahedra that share corners with twelve equivalent CdCd8Pd4 cuboctahedra, edges with eight equivalent PdCd12 cuboctahedra, edges with eight equivalent CdCd8Pd4 cuboctahedra, faces with four equivalent PdCd12 cuboctahedra, and faces with ten equivalent CdCd8Pd4 cuboctahedra. There are four shorter (2.94 Å) and four longer (3.06 Å) Cd–Cd bond lengths. In the second Cd site, Cd is bonded in a distorted square co-planar geometry to four equivalent Pd and eight equivalent Cd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Cd3Pd by Materials Project

PdCd3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Pd is bonded to twelve equivalent Cd atoms to form PdCd12 cuboctahedra that share corners with six equivalent PdCd12 cuboctahedra, corners with twelve equivalent CdCd8Pd4 cuboctahedra, edges with eighteen equivalent CdCd8Pd4 cuboctahedra, faces with eight equivalent PdCd12 cuboctahedra, and faces with twelve equivalent CdCd8Pd4 cuboctahedra. There are six shorter (3.00 Å) and six longer (3.01 Å) Pd–Cd bond lengths. Cd is bonded to four equivalent Pd and eight equivalent Cd atoms to form distorted CdCd8Pd4 cuboctahedra that share corners with four equivalent PdCd12 cuboctahedra, corners with fourteen equivalent CdCd8Pd4 cuboctahedra, edges with six equivalent PdCd12 cuboctahedra, edges with twelve equivalent CdCd8Pd4 cuboctahedra, faces with four equivalent PdCd12 cuboctahedra, and faces with sixteen equivalent CdCd8Pd4 cuboctahedra. There are a spread of Cd–Cd bond distances ranging from 2.93–3.08 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Cd3Pd by Materials Project

PdCd3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Pd is bonded to twelve equivalent Cd atoms to form PdCd12 cuboctahedra that share corners with twelve equivalent PdCd12 cuboctahedra, edges with twenty-four equivalent CdCd8Pd4 cuboctahedra, faces with six equivalent PdCd12 cuboctahedra, and faces with twelve equivalent CdCd8Pd4 cuboctahedra. All Pd–Cd bond lengths are 3.01 Å. Cd is bonded to four equivalent Pd and eight equivalent Cd atoms to form distorted CdCd8Pd4 cuboctahedra that share corners with twelve equivalent CdCd8Pd4 cuboctahedra, edges with eight equivalent PdCd12 cuboctahedra, edges with sixteen equivalent CdCd8Pd4 cuboctahedra, faces with four equivalent PdCd12 cuboctahedra, and faces with fourteen equivalent CdCd8Pd4 cuboctahedra. All Cd–Cd bond lengths are 3.01 Å.

36 MATERIALS SCIENCE↗