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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on InPd3 by Materials Project

Pd3In is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Pd is bonded to eight equivalent Pd and four equivalent In atoms to form distorted PdIn4Pd8 cuboctahedra that share corners with twelve equivalent PdIn4Pd8 cuboctahedra, edges with eight equivalent InPd12 cuboctahedra, edges with sixteen equivalent PdIn4Pd8 cuboctahedra, faces with four equivalent InPd12 cuboctahedra, and faces with fourteen equivalent PdIn4Pd8 cuboctahedra. All Pd–Pd bond lengths are 2.86 Å. All Pd–In bond lengths are 2.86 Å. In is bonded to twelve equivalent Pd atoms to form InPd12 cuboctahedra that share corners with twelve equivalent InPd12 cuboctahedra, edges with twenty-four equivalent PdIn4Pd8 cuboctahedra, faces with six equivalent InPd12 cuboctahedra, and faces with twelve equivalent PdIn4Pd8 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on InPd3 by Materials Project

Pd3In is Uranium Silicide structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are two inequivalent Pd sites. In the first Pd site, Pd is bonded to eight equivalent Pd and four equivalent In atoms to form PdIn4Pd8 cuboctahedra that share corners with twelve equivalent PdIn4Pd8 cuboctahedra, edges with eight equivalent InPd12 cuboctahedra, edges with sixteen equivalent PdIn4Pd8 cuboctahedra, faces with four equivalent InPd12 cuboctahedra, and faces with fourteen PdIn4Pd8 cuboctahedra. All Pd–Pd bond lengths are 2.85 Å. All Pd–In bond lengths are 2.89 Å. In the second Pd site, Pd is bonded to eight Pd and four equivalent In atoms to form distorted PdIn4Pd8 cuboctahedra that share corners with twelve equivalent PdIn4Pd8 cuboctahedra, edges with eight equivalent InPd12 cuboctahedra, edges with sixteen PdIn4Pd8 cuboctahedra, faces with four equivalent InPd12 cuboctahedra, and faces with fourteen PdIn4Pd8 cuboctahedra. All Pd–Pd bond lengths are 2.89 Å. All Pd–In bond lengths are 2.85 Å. In is bonded to twelve Pd atoms to form InPd12 cuboctahedra that share corners with twelve equivalent InPd12 cuboctahedra, edges with twenty-four PdIn4Pd8 cuboctahedra, faces with six equivalent InPd12 cuboctahedra, and faces with twelve PdIn4Pd8 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on InPd3 by Materials Project

Pd3In is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Pd sites. In the first Pd site, Pd is bonded to eight equivalent Pd and four equivalent In atoms to form PdIn4Pd8 cuboctahedra that share corners with four equivalent PdIn4Pd8 cuboctahedra, corners with eight equivalent InPd12 cuboctahedra, edges with twenty-four PdIn4Pd8 cuboctahedra, faces with six equivalent InPd12 cuboctahedra, and faces with twelve PdIn4Pd8 cuboctahedra. All Pd–Pd bond lengths are 2.82 Å. All Pd–In bond lengths are 2.95 Å. In the second Pd site, Pd is bonded to eight Pd and four equivalent In atoms to form distorted PdIn4Pd8 cuboctahedra that share corners with twelve equivalent PdIn4Pd8 cuboctahedra, edges with eight equivalent InPd12 cuboctahedra, edges with sixteen PdIn4Pd8 cuboctahedra, faces with four equivalent InPd12 cuboctahedra, and faces with fourteen PdIn4Pd8 cuboctahedra. All Pd–Pd bond lengths are 2.95 Å. All Pd–In bond lengths are 2.82 Å. In is bonded to twelve Pd atoms to form InPd12 cuboctahedra that share corners with four equivalent InPd12 cuboctahedra, corners with eight equivalent PdIn4Pd8 cuboctahedra, edges with eight equivalent InPd12 cuboctahedra, edges with sixteen equivalent PdIn4Pd8 cuboctahedra, faces with four equivalent InPd12 cuboctahedra, and faces with fourteen PdIn4Pd8 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on InPd3 by Materials Project

Pd3In is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are five inequivalent Pd sites. In the first Pd site, Pd is bonded to eight Pd and four equivalent In atoms to form distorted PdIn4Pd8 cuboctahedra that share corners with twelve PdIn4Pd8 cuboctahedra, edges with eight equivalent InPd12 cuboctahedra, edges with sixteen PdIn4Pd8 cuboctahedra, faces with four equivalent InPd12 cuboctahedra, and faces with fourteen PdIn4Pd8 cuboctahedra. There are four shorter (2.84 Å) and four longer (2.92 Å) Pd–Pd bond lengths. All Pd–In bond lengths are 2.83 Å. In the second Pd site, Pd is bonded to eight Pd and four equivalent In atoms to form distorted PdIn4Pd8 cuboctahedra that share corners with twelve PdIn4Pd8 cuboctahedra, edges with eight equivalent InPd12 cuboctahedra, edges with sixteen PdIn4Pd8 cuboctahedra, faces with four equivalent InPd12 cuboctahedra, and faces with fourteen PdIn4Pd8 cuboctahedra. All Pd–Pd bond lengths are 2.84 Å. All Pd–In bond lengths are 2.83 Å. In the third Pd site, Pd is bonded to eight Pd and four equivalent In atoms to form distorted PdIn4Pd8 cuboctahedra that share corners with twelve PdIn4Pd8 cuboctahedra, edges with eight equivalent InPd12 cuboctahedra, edges with sixteen PdIn4Pd8 cuboctahedra, faces with four equivalent InPd12 cuboctahedra, and faces with fourteen PdIn4Pd8 cuboctahedra. There are four shorter (2.82 Å) and four longer (2.92 Å) Pd–Pd bond lengths. All Pd–In bond lengths are 2.83 Å. In the fourth Pd site, Pd is bonded to eight Pd and four equivalent In atoms to form PdIn4Pd8 cuboctahedra that share corners with four equivalent InPd12 cuboctahedra, corners with eight equivalent PdIn4Pd8 cuboctahedra, edges with four equivalent InPd12 cuboctahedra, edges with twenty PdIn4Pd8 cuboctahedra, faces with five equivalent InPd12 cuboctahedra, and faces with thirteen PdIn4Pd8 cuboctahedra. All Pd–In bond lengths are 2.92 Å. In the fifth Pd site, Pd is bonded to eight Pd and four equivalent In atoms to form distorted PdIn4Pd8 cuboctahedra that share corners with twelve PdIn4Pd8 cuboctahedra, edges with eight equivalent InPd12 cuboctahedra, edges with sixteen PdIn4Pd8 cuboctahedra, faces with four equivalent InPd12 cuboctahedra, and faces with fourteen PdIn4Pd8 cuboctahedra. There are four shorter (2.84 Å) and four longer (2.92 Å) Pd–Pd bond lengths. All Pd–In bond lengths are 2.83 Å. In is bonded to twelve Pd atoms to form InPd12 cuboctahedra that share corners with four equivalent PdIn4Pd8 cuboctahedra, corners with eight equivalent InPd12 cuboctahedra, edges with four equivalent InPd12 cuboctahedra, edges with twenty PdIn4Pd8 cuboctahedra, faces with five equivalent InPd12 cuboctahedra, and faces with thirteen PdIn4Pd8 cuboctahedra.

36 MATERIALS SCIENCE↗