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DOE OSTI2020

Materials Data on SrSm3 by Materials Project

SrSm3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sr is bonded to twelve equivalent Sm atoms to form SrSm12 cuboctahedra that share corners with twelve equivalent SrSm12 cuboctahedra, edges with twenty-four equivalent SmSr4Sm8 cuboctahedra, faces with six equivalent SrSm12 cuboctahedra, and faces with twelve equivalent SmSr4Sm8 cuboctahedra. All Sr–Sm bond lengths are 3.73 Å. Sm is bonded to four equivalent Sr and eight equivalent Sm atoms to form SmSr4Sm8 cuboctahedra that share corners with twelve equivalent SmSr4Sm8 cuboctahedra, edges with eight equivalent SrSm12 cuboctahedra, edges with sixteen equivalent SmSr4Sm8 cuboctahedra, faces with four equivalent SrSm12 cuboctahedra, and faces with fourteen equivalent SmSr4Sm8 cuboctahedra. All Sm–Sm bond lengths are 3.73 Å.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on Sr3Sm by Materials Project

Sr3Sm is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Sr is bonded to eight equivalent Sr and four equivalent Sm atoms to form distorted SrSr8Sm4 cuboctahedra that share corners with four equivalent SmSr12 cuboctahedra, corners with fourteen equivalent SrSr8Sm4 cuboctahedra, edges with six equivalent SmSr12 cuboctahedra, edges with twelve equivalent SrSr8Sm4 cuboctahedra, faces with four equivalent SmSr12 cuboctahedra, and faces with sixteen equivalent SrSr8Sm4 cuboctahedra. There are a spread of Sr–Sr bond distances ranging from 3.96–4.22 Å. There are two shorter (3.99 Å) and two longer (4.09 Å) Sr–Sm bond lengths. Sm is bonded to twelve equivalent Sr atoms to form SmSr12 cuboctahedra that share corners with six equivalent SmSr12 cuboctahedra, corners with twelve equivalent SrSr8Sm4 cuboctahedra, edges with eighteen equivalent SrSr8Sm4 cuboctahedra, faces with eight equivalent SmSr12 cuboctahedra, and faces with twelve equivalent SrSr8Sm4 cuboctahedra.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on SrSm3 by Materials Project

SrSm3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sr is bonded to twelve Sm atoms to form SrSm12 cuboctahedra that share corners with four equivalent SrSm12 cuboctahedra, corners with eight equivalent SmSr4Sm8 cuboctahedra, edges with eight equivalent SrSm12 cuboctahedra, edges with sixteen equivalent SmSr4Sm8 cuboctahedra, faces with four equivalent SrSm12 cuboctahedra, and faces with fourteen SmSr4Sm8 cuboctahedra. All Sr–Sm bond lengths are 3.75 Å. There are two inequivalent Sm sites. In the first Sm site, Sm is bonded to four equivalent Sr and eight Sm atoms to form SmSr4Sm8 cuboctahedra that share corners with twelve equivalent SmSr4Sm8 cuboctahedra, edges with eight equivalent SrSm12 cuboctahedra, edges with sixteen SmSr4Sm8 cuboctahedra, faces with four equivalent SrSm12 cuboctahedra, and faces with fourteen SmSr4Sm8 cuboctahedra. All Sm–Sm bond lengths are 3.75 Å. In the second Sm site, Sm is bonded to four equivalent Sr and eight equivalent Sm atoms to form SmSr4Sm8 cuboctahedra that share corners with four equivalent SmSr4Sm8 cuboctahedra, corners with eight equivalent SrSm12 cuboctahedra, edges with twenty-four SmSr4Sm8 cuboctahedra, faces with six equivalent SrSm12 cuboctahedra, and faces with twelve SmSr4Sm8 cuboctahedra.

36 MATERIALS SCIENCE↗