Materials Data on TbMnFe by Materials Project

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

DOI:https://doi.org/10.17188/1664991· OSTI ID:1664991

TbMnFe crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Tb is bonded in a 12-coordinate geometry to six equivalent Mn and six equivalent Fe atoms. There are four shorter (3.00 Å) and two longer (3.03 Å) Tb–Mn bond lengths. There are two shorter (3.00 Å) and four longer (3.04 Å) Tb–Fe bond lengths. Mn is bonded to six equivalent Tb, two equivalent Mn, and four equivalent Fe atoms to form MnTb6Mn2Fe4 cuboctahedra that share corners with eight equivalent FeTb6Mn4Fe2 cuboctahedra, corners with ten equivalent MnTb6Mn2Fe4 cuboctahedra, edges with six equivalent MnTb6Mn2Fe4 cuboctahedra, faces with six equivalent MnTb6Mn2Fe4 cuboctahedra, and faces with twelve equivalent FeTb6Mn4Fe2 cuboctahedra. Both Mn–Mn bond lengths are 2.61 Å. All Mn–Fe bond lengths are 2.57 Å. Fe is bonded to six equivalent Tb, four equivalent Mn, and two equivalent Fe atoms to form FeTb6Mn4Fe2 cuboctahedra that share corners with eight equivalent MnTb6Mn2Fe4 cuboctahedra, corners with ten equivalent FeTb6Mn4Fe2 cuboctahedra, edges with six equivalent FeTb6Mn4Fe2 cuboctahedra, faces with six equivalent FeTb6Mn4Fe2 cuboctahedra, and faces with twelve equivalent MnTb6Mn2Fe4 cuboctahedra. Both Fe–Fe bond lengths are 2.54 Å.

• 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: 1664991
• Report Number(s): mp-1217486
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Fe-Mn-Tb
TbMnFe
crystal structure