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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on PrSm3 by Materials Project

Sm3Pr is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sm is bonded to eight equivalent Sm and four equivalent Pr atoms to form SmPr4Sm8 cuboctahedra that share corners with twelve equivalent SmPr4Sm8 cuboctahedra, edges with eight equivalent PrSm12 cuboctahedra, edges with sixteen equivalent SmPr4Sm8 cuboctahedra, faces with four equivalent PrSm12 cuboctahedra, and faces with fourteen equivalent SmPr4Sm8 cuboctahedra. All Sm–Sm bond lengths are 3.66 Å. All Sm–Pr bond lengths are 3.66 Å. Pr is bonded to twelve equivalent Sm atoms to form PrSm12 cuboctahedra that share corners with twelve equivalent PrSm12 cuboctahedra, edges with twenty-four equivalent SmPr4Sm8 cuboctahedra, faces with six equivalent PrSm12 cuboctahedra, and faces with twelve equivalent SmPr4Sm8 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PrSm3 by Materials Project

Sm3Pr is alpha La-derived 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 Pr atoms to form SmPr4Sm8 cuboctahedra that share corners with twelve equivalent SmPr4Sm8 cuboctahedra, edges with eight equivalent PrSm12 cuboctahedra, edges with sixteen SmPr4Sm8 cuboctahedra, faces with four equivalent PrSm12 cuboctahedra, and faces with fourteen SmPr4Sm8 cuboctahedra. All Sm–Sm bond lengths are 3.64 Å. All Sm–Pr bond lengths are 3.64 Å. In the second Sm site, Sm is bonded to eight equivalent Sm and four equivalent Pr atoms to form SmPr4Sm8 cuboctahedra that share corners with four equivalent SmPr4Sm8 cuboctahedra, corners with eight equivalent PrSm12 cuboctahedra, edges with twenty-four SmPr4Sm8 cuboctahedra, faces with six equivalent PrSm12 cuboctahedra, and faces with twelve SmPr4Sm8 cuboctahedra. All Sm–Pr bond lengths are 3.64 Å. Pr is bonded to twelve Sm atoms to form PrSm12 cuboctahedra that share corners with four equivalent PrSm12 cuboctahedra, corners with eight equivalent SmPr4Sm8 cuboctahedra, edges with eight equivalent PrSm12 cuboctahedra, edges with sixteen equivalent SmPr4Sm8 cuboctahedra, faces with four equivalent PrSm12 cuboctahedra, and faces with fourteen SmPr4Sm8 cuboctahedra.

36 MATERIALS SCIENCE↗
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 PrSm by Materials Project

SmPr is Magnesium-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Sm is bonded to six equivalent Sm and six equivalent Pr atoms to form SmPr6Sm6 cuboctahedra that share corners with eighteen equivalent SmPr6Sm6 cuboctahedra, edges with six equivalent SmPr6Sm6 cuboctahedra, edges with twelve equivalent PrPr6Sm6 cuboctahedra, faces with eight equivalent SmPr6Sm6 cuboctahedra, and faces with twelve equivalent PrPr6Sm6 cuboctahedra. All Sm–Sm bond lengths are 3.68 Å. All Sm–Pr bond lengths are 3.70 Å. Pr is bonded to six equivalent Sm and six equivalent Pr atoms to form PrPr6Sm6 cuboctahedra that share corners with eighteen equivalent PrPr6Sm6 cuboctahedra, edges with six equivalent PrPr6Sm6 cuboctahedra, edges with twelve equivalent SmPr6Sm6 cuboctahedra, faces with eight equivalent PrPr6Sm6 cuboctahedra, and faces with twelve equivalent SmPr6Sm6 cuboctahedra. All Pr–Pr bond lengths are 3.68 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PrSm3 by Materials Project

Sm3Pr is Magnesium-derived 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 Pr atoms to form SmPr4Sm8 cuboctahedra that share corners with four equivalent PrSm12 cuboctahedra, corners with fourteen equivalent SmPr4Sm8 cuboctahedra, edges with six equivalent PrSm12 cuboctahedra, edges with twelve equivalent SmPr4Sm8 cuboctahedra, faces with four equivalent PrSm12 cuboctahedra, and faces with sixteen equivalent SmPr4Sm8 cuboctahedra. There are a spread of Sm–Sm bond distances ranging from 3.65–3.68 Å. There are two shorter (3.67 Å) and two longer (3.68 Å) Sm–Pr bond lengths. Pr is bonded to twelve equivalent Sm atoms to form PrSm12 cuboctahedra that share corners with six equivalent PrSm12 cuboctahedra, corners with twelve equivalent SmPr4Sm8 cuboctahedra, edges with eighteen equivalent SmPr4Sm8 cuboctahedra, faces with eight equivalent PrSm12 cuboctahedra, and faces with twelve equivalent SmPr4Sm8 cuboctahedra.

36 MATERIALS SCIENCE↗