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All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

Materials Data on Sm3Cd by Materials Project

Sm3Cd is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Sm is bonded to eight equivalent Sm and four equivalent Cd atoms to form distorted SmSm8Cd4 cuboctahedra that share corners with four equivalent CdSm12 cuboctahedra, corners with fourteen equivalent SmSm8Cd4 cuboctahedra, edges with six equivalent CdSm12 cuboctahedra, edges with twelve equivalent SmSm8Cd4 cuboctahedra, faces with four equivalent CdSm12 cuboctahedra, and faces with sixteen equivalent SmSm8Cd4 cuboctahedra. There are a spread of Sm–Sm bond distances ranging from 3.40–3.69 Å. There are two shorter (3.40 Å) and two longer (3.55 Å) Sm–Cd bond lengths. Cd is bonded to twelve equivalent Sm atoms to form CdSm12 cuboctahedra that share corners with six equivalent CdSm12 cuboctahedra, corners with twelve equivalent SmSm8Cd4 cuboctahedra, edges with eighteen equivalent SmSm8Cd4 cuboctahedra, faces with eight equivalent CdSm12 cuboctahedra, and faces with twelve equivalent SmSm8Cd4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sm3Cd by Materials Project

Sm3Cd is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Sm sites. In the first Sm site, Sm is bonded to eight Sm and four equivalent Cd atoms to form distorted SmSm8Cd4 cuboctahedra that share corners with twelve equivalent SmSm8Cd4 cuboctahedra, edges with eight equivalent CdSm12 cuboctahedra, edges with sixteen SmSm8Cd4 cuboctahedra, faces with four equivalent CdSm12 cuboctahedra, and faces with fourteen SmSm8Cd4 cuboctahedra. There are four shorter (3.47 Å) and four longer (3.50 Å) Sm–Sm bond lengths. All Sm–Cd bond lengths are 3.50 Å. In the second Sm site, Sm is bonded to eight equivalent Sm and four equivalent Cd atoms to form distorted SmSm8Cd4 cuboctahedra that share corners with four equivalent SmSm8Cd4 cuboctahedra, corners with eight equivalent CdSm12 cuboctahedra, edges with twenty-four SmSm8Cd4 cuboctahedra, faces with six equivalent CdSm12 cuboctahedra, and faces with twelve SmSm8Cd4 cuboctahedra. All Sm–Cd bond lengths are 3.47 Å. Cd is bonded to twelve Sm atoms to form CdSm12 cuboctahedra that share corners with four equivalent CdSm12 cuboctahedra, corners with eight equivalent SmSm8Cd4 cuboctahedra, edges with eight equivalent CdSm12 cuboctahedra, edges with sixteen equivalent SmSm8Cd4 cuboctahedra, faces with four equivalent CdSm12 cuboctahedra, and faces with fourteen SmSm8Cd4 cuboctahedra.

36 MATERIALS SCIENCE↗