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DOE OSTI2020

Materials Data on Dy3Lu by Materials Project

LuDy3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Lu is bonded to twelve equivalent Dy atoms to form LuDy12 cuboctahedra that share corners with six equivalent LuDy12 cuboctahedra, corners with twelve equivalent DyDy8Lu4 cuboctahedra, edges with eighteen equivalent DyDy8Lu4 cuboctahedra, faces with eight equivalent LuDy12 cuboctahedra, and faces with twelve equivalent DyDy8Lu4 cuboctahedra. There are six shorter (3.50 Å) and six longer (3.59 Å) Lu–Dy bond lengths. Dy is bonded to four equivalent Lu and eight equivalent Dy atoms to form DyDy8Lu4 cuboctahedra that share corners with four equivalent LuDy12 cuboctahedra, corners with fourteen equivalent DyDy8Lu4 cuboctahedra, edges with six equivalent LuDy12 cuboctahedra, edges with twelve equivalent DyDy8Lu4 cuboctahedra, faces with four equivalent LuDy12 cuboctahedra, and faces with sixteen equivalent DyDy8Lu4 cuboctahedra. There are a spread of Dy–Dy bond distances ranging from 3.51–3.61 Å.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on Dy3Lu by Materials Project

LuDy3 is alpha La-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Lu is bonded to twelve Dy atoms to form LuDy12 cuboctahedra that share corners with four equivalent LuDy12 cuboctahedra, corners with eight equivalent DyDy8Lu4 cuboctahedra, edges with eight equivalent LuDy12 cuboctahedra, edges with sixteen equivalent DyDy8Lu4 cuboctahedra, faces with four equivalent LuDy12 cuboctahedra, and faces with fourteen DyDy8Lu4 cuboctahedra. All Lu–Dy bond lengths are 3.52 Å. There are two inequivalent Dy sites. In the first Dy site, Dy is bonded to four equivalent Lu and eight Dy atoms to form DyDy8Lu4 cuboctahedra that share corners with twelve equivalent DyDy8Lu4 cuboctahedra, edges with eight equivalent LuDy12 cuboctahedra, edges with sixteen DyDy8Lu4 cuboctahedra, faces with four equivalent LuDy12 cuboctahedra, and faces with fourteen DyDy8Lu4 cuboctahedra. All Dy–Dy bond lengths are 3.52 Å. In the second Dy site, Dy is bonded to four equivalent Lu and eight equivalent Dy atoms to form DyDy8Lu4 cuboctahedra that share corners with four equivalent DyDy8Lu4 cuboctahedra, corners with eight equivalent LuDy12 cuboctahedra, edges with twenty-four DyDy8Lu4 cuboctahedra, faces with six equivalent LuDy12 cuboctahedra, and faces with twelve DyDy8Lu4 cuboctahedra.

36 MATERIALS SCIENCE↗