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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Pm3Sc by Materials Project

Pm3Sc is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Pm is bonded to eight equivalent Pm and four equivalent Sc atoms to form distorted PmPm8Sc4 cuboctahedra that share corners with four equivalent ScPm12 cuboctahedra, corners with fourteen equivalent PmPm8Sc4 cuboctahedra, edges with six equivalent ScPm12 cuboctahedra, edges with twelve equivalent PmPm8Sc4 cuboctahedra, faces with four equivalent ScPm12 cuboctahedra, and faces with sixteen equivalent PmPm8Sc4 cuboctahedra. There are a spread of Pm–Pm bond distances ranging from 3.54–3.67 Å. There are two shorter (3.52 Å) and two longer (3.61 Å) Pm–Sc bond lengths. Sc is bonded to twelve equivalent Pm atoms to form ScPm12 cuboctahedra that share corners with six equivalent ScPm12 cuboctahedra, corners with twelve equivalent PmPm8Sc4 cuboctahedra, edges with eighteen equivalent PmPm8Sc4 cuboctahedra, faces with eight equivalent ScPm12 cuboctahedra, and faces with twelve equivalent PmPm8Sc4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pm3Sc by Materials Project

Pm3Sc is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Pm sites. In the first Pm site, Pm is bonded to eight Pm and four equivalent Sc atoms to form PmPm8Sc4 cuboctahedra that share corners with twelve equivalent PmPm8Sc4 cuboctahedra, edges with eight equivalent ScPm12 cuboctahedra, edges with sixteen PmPm8Sc4 cuboctahedra, faces with four equivalent ScPm12 cuboctahedra, and faces with fourteen PmPm8Sc4 cuboctahedra. There are four shorter (3.56 Å) and four longer (3.57 Å) Pm–Pm bond lengths. All Pm–Sc bond lengths are 3.56 Å. In the second Pm site, Pm is bonded to eight equivalent Pm and four equivalent Sc atoms to form PmPm8Sc4 cuboctahedra that share corners with four equivalent PmPm8Sc4 cuboctahedra, corners with eight equivalent ScPm12 cuboctahedra, edges with twenty-four PmPm8Sc4 cuboctahedra, faces with six equivalent ScPm12 cuboctahedra, and faces with twelve PmPm8Sc4 cuboctahedra. All Pm–Sc bond lengths are 3.57 Å. Sc is bonded to twelve Pm atoms to form ScPm12 cuboctahedra that share corners with four equivalent ScPm12 cuboctahedra, corners with eight equivalent PmPm8Sc4 cuboctahedra, edges with eight equivalent ScPm12 cuboctahedra, edges with sixteen equivalent PmPm8Sc4 cuboctahedra, faces with four equivalent ScPm12 cuboctahedra, and faces with fourteen PmPm8Sc4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PmSc3 by Materials Project

PmSc3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Pm is bonded to twelve Sc atoms to form PmSc12 cuboctahedra that share corners with four equivalent PmSc12 cuboctahedra, corners with eight equivalent ScPm4Sc8 cuboctahedra, edges with eight equivalent PmSc12 cuboctahedra, edges with sixteen equivalent ScPm4Sc8 cuboctahedra, faces with four equivalent PmSc12 cuboctahedra, and faces with fourteen ScPm4Sc8 cuboctahedra. There are eight shorter (3.35 Å) and four longer (3.38 Å) Pm–Sc bond lengths. There are two inequivalent Sc sites. In the first Sc site, Sc is bonded to four equivalent Pm and eight Sc atoms to form ScPm4Sc8 cuboctahedra that share corners with twelve equivalent ScPm4Sc8 cuboctahedra, edges with eight equivalent PmSc12 cuboctahedra, edges with sixteen ScPm4Sc8 cuboctahedra, faces with four equivalent PmSc12 cuboctahedra, and faces with fourteen ScPm4Sc8 cuboctahedra. There are four shorter (3.35 Å) and four longer (3.38 Å) Sc–Sc bond lengths. In the second Sc site, Sc is bonded to four equivalent Pm and eight equivalent Sc atoms to form ScPm4Sc8 cuboctahedra that share corners with four equivalent ScPm4Sc8 cuboctahedra, corners with eight equivalent PmSc12 cuboctahedra, edges with twenty-four ScPm4Sc8 cuboctahedra, faces with six equivalent PmSc12 cuboctahedra, and faces with twelve ScPm4Sc8 cuboctahedra.

36 MATERIALS SCIENCE↗