10.17188/1315949
Persson, Kristin
Project, Materials
Materials Data on SmDy3 by Materials Project
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
2020
en
36 MATERIALS SCIENCE
crystal structure
SmDy3
Dy-Sm
1315949
AC02-05CH11231; EDCBEE
mp-978535
Specialized Mix
Dy3Sm 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 Sm atoms to form DySm4Dy8 cuboctahedra that share corners with twelve equivalent DySm4Dy8 cuboctahedra, edges with eight equivalent SmDy12 cuboctahedra, edges with sixteen DySm4Dy8 cuboctahedra, faces with four equivalent SmDy12 cuboctahedra, and faces with fourteen DySm4Dy8 cuboctahedra. All Dy–Dy bond lengths are 3.57 Å. All Dy–Sm bond lengths are 3.57 Å. In the second Dy site, Dy is bonded to eight equivalent Dy and four equivalent Sm atoms to form DySm4Dy8 cuboctahedra that share corners with four equivalent DySm4Dy8 cuboctahedra, corners with eight equivalent SmDy12 cuboctahedra, edges with twenty-four DySm4Dy8 cuboctahedra, faces with six equivalent SmDy12 cuboctahedra, and faces with twelve DySm4Dy8 cuboctahedra. All Dy–Sm bond lengths are 3.57 Å. Sm is bonded to twelve Dy atoms to form SmDy12 cuboctahedra that share corners with four equivalent SmDy12 cuboctahedra, corners with eight equivalent DySm4Dy8 cuboctahedra, edges with eight equivalent SmDy12 cuboctahedra, edges with sixteen equivalent DySm4Dy8 cuboctahedra, faces with four equivalent SmDy12 cuboctahedra, and faces with fourteen DySm4Dy8 cuboctahedra.