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DOE OSTI2020

Materials Data on Pr3Dy by Materials Project

DyPr3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded to twelve Pr atoms to form DyPr12 cuboctahedra that share corners with six equivalent DyPr12 cuboctahedra, corners with twelve equivalent PrPr8Dy4 cuboctahedra, edges with eighteen PrPr8Dy4 cuboctahedra, faces with eight DyPr12 cuboctahedra, and faces with twelve PrPr8Dy4 cuboctahedra. All Dy–Pr bond lengths are 3.69 Å. In the second Dy site, Dy is bonded to twelve Pr atoms to form DyPr12 cuboctahedra that share corners with six equivalent DyPr12 cuboctahedra, corners with twelve equivalent PrPr8Dy4 cuboctahedra, edges with eighteen PrPr8Dy4 cuboctahedra, faces with eight DyPr12 cuboctahedra, and faces with twelve PrPr8Dy4 cuboctahedra. There are six shorter (3.68 Å) and six longer (3.69 Å) Dy–Pr bond lengths. There are two inequivalent Pr sites. In the first Pr site, Pr is bonded to four Dy and eight Pr atoms to form PrPr8Dy4 cuboctahedra that share corners with four equivalent DyPr12 cuboctahedra, corners with fourteen equivalent PrPr8Dy4 cuboctahedra, edges with six DyPr12 cuboctahedra, edges with twelve PrPr8Dy4 cuboctahedra, faces with four DyPr12 cuboctahedra, and faces with sixteen PrPr8Dy4 cuboctahedra. There are two shorter (3.67 Å) and six longer (3.70 Å) Pr–Pr bond lengths. In the second Pr site, Pr is bonded to four Dy and eight Pr atoms to form PrPr8Dy4 cuboctahedra that share corners with four equivalent DyPr12 cuboctahedra, corners with fourteen equivalent PrPr8Dy4 cuboctahedra, edges with six DyPr12 cuboctahedra, edges with twelve PrPr8Dy4 cuboctahedra, faces with four DyPr12 cuboctahedra, and faces with sixteen PrPr8Dy4 cuboctahedra. There are two shorter (3.64 Å) and two longer (3.73 Å) Pr–Pr bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pr3Dy by Materials Project

DyPr3 is alpha La-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Dy is bonded to twelve Pr atoms to form DyPr12 cuboctahedra that share corners with four equivalent DyPr12 cuboctahedra, corners with eight equivalent PrPr8Dy4 cuboctahedra, edges with eight equivalent DyPr12 cuboctahedra, edges with sixteen equivalent PrPr8Dy4 cuboctahedra, faces with four equivalent DyPr12 cuboctahedra, and faces with fourteen PrPr8Dy4 cuboctahedra. There are four shorter (3.67 Å) and eight longer (3.68 Å) Dy–Pr bond lengths. There are two inequivalent Pr sites. In the first Pr site, Pr is bonded to four equivalent Dy and eight Pr atoms to form PrPr8Dy4 cuboctahedra that share corners with twelve equivalent PrPr8Dy4 cuboctahedra, edges with eight equivalent DyPr12 cuboctahedra, edges with sixteen PrPr8Dy4 cuboctahedra, faces with four equivalent DyPr12 cuboctahedra, and faces with fourteen PrPr8Dy4 cuboctahedra. There are four shorter (3.67 Å) and four longer (3.68 Å) Pr–Pr bond lengths. In the second Pr site, Pr is bonded to four equivalent Dy and eight equivalent Pr atoms to form PrPr8Dy4 cuboctahedra that share corners with four equivalent PrPr8Dy4 cuboctahedra, corners with eight equivalent DyPr12 cuboctahedra, edges with twenty-four PrPr8Dy4 cuboctahedra, faces with six equivalent DyPr12 cuboctahedra, and faces with twelve PrPr8Dy4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pr3Dy by Materials Project

DyPr3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Dy is bonded to twelve equivalent Pr atoms to form DyPr12 cuboctahedra that share corners with twelve equivalent DyPr12 cuboctahedra, edges with twenty-four equivalent PrPr8Dy4 cuboctahedra, faces with six equivalent DyPr12 cuboctahedra, and faces with twelve equivalent PrPr8Dy4 cuboctahedra. All Dy–Pr bond lengths are 3.67 Å. Pr is bonded to four equivalent Dy and eight equivalent Pr atoms to form PrPr8Dy4 cuboctahedra that share corners with twelve equivalent PrPr8Dy4 cuboctahedra, edges with eight equivalent DyPr12 cuboctahedra, edges with sixteen equivalent PrPr8Dy4 cuboctahedra, faces with four equivalent DyPr12 cuboctahedra, and faces with fourteen equivalent PrPr8Dy4 cuboctahedra. All Pr–Pr bond lengths are 3.67 Å.

36 MATERIALS SCIENCE↗