U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Sm3Th by Materials Project
Abstract
ThSm3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Th is bonded to twelve Sm atoms to form ThSm12 cuboctahedra that share corners with four equivalent ThSm12 cuboctahedra, corners with eight equivalent SmSm8Th4 cuboctahedra, edges with eight equivalent ThSm12 cuboctahedra, edges with sixteen equivalent SmSm8Th4 cuboctahedra, faces with four equivalent ThSm12 cuboctahedra, and faces with fourteen SmSm8Th4 cuboctahedra. All Th–Sm bond lengths are 3.61 Å. There are two inequivalent Sm sites. In the first Sm site, Sm is bonded to four equivalent Th and eight Sm atoms to form SmSm8Th4 cuboctahedra that share corners with twelve equivalent SmSm8Th4 cuboctahedra, edges with eight equivalent ThSm12 cuboctahedra, edges with sixteen SmSm8Th4 cuboctahedra, faces with four equivalent ThSm12 cuboctahedra, and faces with fourteen SmSm8Th4 cuboctahedra. All Sm–Sm bond lengths are 3.61 Å. In the second Sm site, Sm is bonded to four equivalent Th and eight equivalent Sm atoms to form SmSm8Th4 cuboctahedra that share corners with four equivalent SmSm8Th4 cuboctahedra, corners with eight equivalent ThSm12 cuboctahedra, edges with twenty-four SmSm8Th4 cuboctahedra, faces with six equivalent ThSm12 cuboctahedra, and faces with twelve SmSm8Th4 cuboctahedra.
- Publication Date:
- Other Number(s):
- mp-978939
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; Sm-Th; Sm3Th; crystal structure
- OSTI Identifier:
- 1316039
- DOI:
- https://doi.org/10.17188/1316039
Citation Formats
Materials Data on Sm3Th by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1316039.
Materials Data on Sm3Th by Materials Project. United States. doi:https://doi.org/10.17188/1316039
2020.
"Materials Data on Sm3Th by Materials Project". United States. doi:https://doi.org/10.17188/1316039. https://www.osti.gov/servlets/purl/1316039. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1316039,
title = {Materials Data on Sm3Th by Materials Project},
abstractNote = {ThSm3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Th is bonded to twelve Sm atoms to form ThSm12 cuboctahedra that share corners with four equivalent ThSm12 cuboctahedra, corners with eight equivalent SmSm8Th4 cuboctahedra, edges with eight equivalent ThSm12 cuboctahedra, edges with sixteen equivalent SmSm8Th4 cuboctahedra, faces with four equivalent ThSm12 cuboctahedra, and faces with fourteen SmSm8Th4 cuboctahedra. All Th–Sm bond lengths are 3.61 Å. There are two inequivalent Sm sites. In the first Sm site, Sm is bonded to four equivalent Th and eight Sm atoms to form SmSm8Th4 cuboctahedra that share corners with twelve equivalent SmSm8Th4 cuboctahedra, edges with eight equivalent ThSm12 cuboctahedra, edges with sixteen SmSm8Th4 cuboctahedra, faces with four equivalent ThSm12 cuboctahedra, and faces with fourteen SmSm8Th4 cuboctahedra. All Sm–Sm bond lengths are 3.61 Å. In the second Sm site, Sm is bonded to four equivalent Th and eight equivalent Sm atoms to form SmSm8Th4 cuboctahedra that share corners with four equivalent SmSm8Th4 cuboctahedra, corners with eight equivalent ThSm12 cuboctahedra, edges with twenty-four SmSm8Th4 cuboctahedra, faces with six equivalent ThSm12 cuboctahedra, and faces with twelve SmSm8Th4 cuboctahedra.},
doi = {10.17188/1316039},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}