Materials Data on Pr3Sc by Materials Project

Abstract

Pr3Sc is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Pr is bonded to eight equivalent Pr and four equivalent Sc atoms to form distorted PrPr8Sc4 cuboctahedra that share corners with four equivalent ScPr12 cuboctahedra, corners with fourteen equivalent PrPr8Sc4 cuboctahedra, edges with six equivalent ScPr12 cuboctahedra, edges with twelve equivalent PrPr8Sc4 cuboctahedra, faces with four equivalent ScPr12 cuboctahedra, and faces with sixteen equivalent PrPr8Sc4 cuboctahedra. There are a spread of Pr–Pr bond distances ranging from 3.54–3.71 Å. There are two shorter (3.58 Å) and two longer (3.62 Å) Pr–Sc bond lengths. Sc is bonded to twelve equivalent Pr atoms to form ScPr12 cuboctahedra that share corners with six equivalent ScPr12 cuboctahedra, corners with twelve equivalent PrPr8Sc4 cuboctahedra, edges with eighteen equivalent PrPr8Sc4 cuboctahedra, faces with eight equivalent ScPr12 cuboctahedra, and faces with twelve equivalent PrPr8Sc4 cuboctahedra.