Materials Data on PmSm3 by Materials Project

Dataset · Thu Jul 23 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1653002· OSTI ID:1653002

Sm3Pm is alpha La-derived 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 Pm atoms to form SmPm4Sm8 cuboctahedra that share corners with twelve equivalent SmPm4Sm8 cuboctahedra, edges with eight equivalent PmSm12 cuboctahedra, edges with sixteen SmPm4Sm8 cuboctahedra, faces with four equivalent PmSm12 cuboctahedra, and faces with fourteen SmPm4Sm8 cuboctahedra. All Sm–Sm bond lengths are 3.65 Å. All Sm–Pm bond lengths are 3.65 Å. In the second Sm site, Sm is bonded to eight equivalent Sm and four equivalent Pm atoms to form SmPm4Sm8 cuboctahedra that share corners with four equivalent SmPm4Sm8 cuboctahedra, corners with eight equivalent PmSm12 cuboctahedra, edges with twenty-four SmPm4Sm8 cuboctahedra, faces with six equivalent PmSm12 cuboctahedra, and faces with twelve SmPm4Sm8 cuboctahedra. All Sm–Pm bond lengths are 3.65 Å. Pm is bonded to twelve Sm atoms to form PmSm12 cuboctahedra that share corners with four equivalent PmSm12 cuboctahedra, corners with eight equivalent SmPm4Sm8 cuboctahedra, edges with eight equivalent PmSm12 cuboctahedra, edges with sixteen equivalent SmPm4Sm8 cuboctahedra, faces with four equivalent PmSm12 cuboctahedra, and faces with fourteen SmPm4Sm8 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: 1653002
• Report Number(s): mp-1186633
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Pm-Sm
PmSm3
crystal structure