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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Pr3Sm by Materials Project

SmPr3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sm is bonded to twelve equivalent Pr atoms to form SmPr12 cuboctahedra that share corners with twelve equivalent SmPr12 cuboctahedra, edges with twenty-four equivalent PrPr8Sm4 cuboctahedra, faces with six equivalent SmPr12 cuboctahedra, and faces with twelve equivalent PrPr8Sm4 cuboctahedra. All Sm–Pr bond lengths are 3.71 Å. Pr is bonded to four equivalent Sm and eight equivalent Pr atoms to form PrPr8Sm4 cuboctahedra that share corners with twelve equivalent PrPr8Sm4 cuboctahedra, edges with eight equivalent SmPr12 cuboctahedra, edges with sixteen equivalent PrPr8Sm4 cuboctahedra, faces with four equivalent SmPr12 cuboctahedra, and faces with fourteen equivalent PrPr8Sm4 cuboctahedra. All Pr–Pr bond lengths are 3.71 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pr3Sm by Materials Project

SmPr3 is alpha La-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sm is bonded to twelve Pr atoms to form SmPr12 cuboctahedra that share corners with four equivalent SmPr12 cuboctahedra, corners with eight equivalent PrPr8Sm4 cuboctahedra, edges with eight equivalent SmPr12 cuboctahedra, edges with sixteen equivalent PrPr8Sm4 cuboctahedra, faces with four equivalent SmPr12 cuboctahedra, and faces with fourteen PrPr8Sm4 cuboctahedra. There are four shorter (3.69 Å) and eight longer (3.70 Å) Sm–Pr bond lengths. There are two inequivalent Pr sites. In the first Pr site, Pr is bonded to four equivalent Sm and eight Pr atoms to form PrPr8Sm4 cuboctahedra that share corners with twelve equivalent PrPr8Sm4 cuboctahedra, edges with eight equivalent SmPr12 cuboctahedra, edges with sixteen PrPr8Sm4 cuboctahedra, faces with four equivalent SmPr12 cuboctahedra, and faces with fourteen PrPr8Sm4 cuboctahedra. There are four shorter (3.69 Å) and four longer (3.70 Å) Pr–Pr bond lengths. In the second Pr site, Pr is bonded to four equivalent Sm and eight equivalent Pr atoms to form PrPr8Sm4 cuboctahedra that share corners with four equivalent PrPr8Sm4 cuboctahedra, corners with eight equivalent SmPr12 cuboctahedra, edges with twenty-four PrPr8Sm4 cuboctahedra, faces with six equivalent SmPr12 cuboctahedra, and faces with twelve PrPr8Sm4 cuboctahedra.

36 MATERIALS SCIENCE↗