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Materials Data on Sm3Sc by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1313849· OSTI ID:1313849
Sm3Sc is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Sm sites. In the first Sm site, Sm is bonded to eight Sm and four equivalent Sc atoms to form SmSm8Sc4 cuboctahedra that share corners with twelve equivalent SmSm8Sc4 cuboctahedra, edges with eight equivalent ScSm12 cuboctahedra, edges with sixteen SmSm8Sc4 cuboctahedra, faces with four equivalent ScSm12 cuboctahedra, and faces with fourteen SmSm8Sc4 cuboctahedra. There are four shorter (3.54 Å) and four longer (3.56 Å) Sm–Sm bond lengths. All Sm–Sc bond lengths are 3.54 Å. In the second Sm site, Sm is bonded to eight equivalent Sm and four equivalent Sc atoms to form SmSm8Sc4 cuboctahedra that share corners with four equivalent SmSm8Sc4 cuboctahedra, corners with eight equivalent ScSm12 cuboctahedra, edges with twenty-four SmSm8Sc4 cuboctahedra, faces with six equivalent ScSm12 cuboctahedra, and faces with twelve SmSm8Sc4 cuboctahedra. All Sm–Sc bond lengths are 3.56 Å. Sc is bonded to twelve Sm atoms to form ScSm12 cuboctahedra that share corners with four equivalent ScSm12 cuboctahedra, corners with eight equivalent SmSm8Sc4 cuboctahedra, edges with eight equivalent ScSm12 cuboctahedra, edges with sixteen equivalent SmSm8Sc4 cuboctahedra, faces with four equivalent ScSm12 cuboctahedra, and faces with fourteen SmSm8Sc4 cuboctahedra.
Research Organization:
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Contributing Organization:
The Materials Project; MIT; UC Berkeley; Duke; U Louvain
DOE Contract Number:
AC02-05CH11231
OSTI ID:
1313849
Report Number(s):
mp-972479
Country of Publication:
United States
Language:
English

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Related Subjects

36 MATERIALS SCIENCE
Sc-Sm
Sm3Sc
crystal structure