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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on PrDy3 by Materials Project

Dy3Pr is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Dy is bonded to eight equivalent Dy and four equivalent Pr atoms to form DyPr4Dy8 cuboctahedra that share corners with twelve equivalent DyPr4Dy8 cuboctahedra, edges with eight equivalent PrDy12 cuboctahedra, edges with sixteen equivalent DyPr4Dy8 cuboctahedra, faces with four equivalent PrDy12 cuboctahedra, and faces with fourteen equivalent DyPr4Dy8 cuboctahedra. All Dy–Dy bond lengths are 3.59 Å. All Dy–Pr bond lengths are 3.59 Å. Pr is bonded to twelve equivalent Dy atoms to form PrDy12 cuboctahedra that share corners with twelve equivalent PrDy12 cuboctahedra, edges with twenty-four equivalent DyPr4Dy8 cuboctahedra, faces with six equivalent PrDy12 cuboctahedra, and faces with twelve equivalent DyPr4Dy8 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PrDy3 by Materials Project

Dy3Pr is alpha La-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded to eight Dy and four equivalent Pr atoms to form DyPr4Dy8 cuboctahedra that share corners with twelve equivalent DyPr4Dy8 cuboctahedra, edges with eight equivalent PrDy12 cuboctahedra, edges with sixteen DyPr4Dy8 cuboctahedra, faces with four equivalent PrDy12 cuboctahedra, and faces with fourteen DyPr4Dy8 cuboctahedra. There are four shorter (3.58 Å) and four longer (3.60 Å) Dy–Dy bond lengths. All Dy–Pr bond lengths are 3.58 Å. In the second Dy site, Dy is bonded to eight equivalent Dy and four equivalent Pr atoms to form DyPr4Dy8 cuboctahedra that share corners with four equivalent DyPr4Dy8 cuboctahedra, corners with eight equivalent PrDy12 cuboctahedra, edges with twenty-four DyPr4Dy8 cuboctahedra, faces with six equivalent PrDy12 cuboctahedra, and faces with twelve DyPr4Dy8 cuboctahedra. All Dy–Pr bond lengths are 3.60 Å. Pr is bonded to twelve Dy atoms to form PrDy12 cuboctahedra that share corners with four equivalent PrDy12 cuboctahedra, corners with eight equivalent DyPr4Dy8 cuboctahedra, edges with eight equivalent PrDy12 cuboctahedra, edges with sixteen equivalent DyPr4Dy8 cuboctahedra, faces with four equivalent PrDy12 cuboctahedra, and faces with fourteen DyPr4Dy8 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PrDy3 by Materials Project

Dy3Pr is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded to eight Dy and four equivalent Pr atoms to form DyPr4Dy8 cuboctahedra that share corners with four equivalent PrDy12 cuboctahedra, corners with fourteen DyPr4Dy8 cuboctahedra, edges with six equivalent PrDy12 cuboctahedra, edges with twelve DyPr4Dy8 cuboctahedra, faces with four equivalent PrDy12 cuboctahedra, and faces with sixteen DyPr4Dy8 cuboctahedra. There are a spread of Dy–Dy bond distances ranging from 3.57–3.67 Å. There are two shorter (3.59 Å) and two longer (3.64 Å) Dy–Pr bond lengths. In the second Dy site, Dy is bonded to eight equivalent Dy and four equivalent Pr atoms to form DyPr4Dy8 cuboctahedra that share corners with four equivalent PrDy12 cuboctahedra, corners with fourteen DyPr4Dy8 cuboctahedra, edges with six equivalent PrDy12 cuboctahedra, edges with twelve equivalent DyPr4Dy8 cuboctahedra, faces with four equivalent PrDy12 cuboctahedra, and faces with sixteen DyPr4Dy8 cuboctahedra. There are two shorter (3.59 Å) and two longer (3.64 Å) Dy–Pr bond lengths. Pr is bonded to twelve Dy atoms to form PrDy12 cuboctahedra that share corners with six equivalent PrDy12 cuboctahedra, corners with twelve DyPr4Dy8 cuboctahedra, edges with eighteen DyPr4Dy8 cuboctahedra, faces with eight equivalent PrDy12 cuboctahedra, and faces with twelve DyPr4Dy8 cuboctahedra.

36 MATERIALS SCIENCE↗