Materials Data on DyMnFe by Materials Project

Dataset · Fri Jun 05 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1750254· OSTI ID:1750254

DyMnFe crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Dy is bonded in a 12-coordinate geometry to four equivalent Dy, six equivalent Mn, and six equivalent Fe atoms. There are two shorter (3.13 Å) and two longer (3.16 Å) Dy–Dy bond lengths. There are four shorter (2.99 Å) and two longer (3.03 Å) Dy–Mn bond lengths. There are two shorter (3.00 Å) and four longer (3.04 Å) Dy–Fe bond lengths. Mn is bonded to six equivalent Dy, two equivalent Mn, and four equivalent Fe atoms to form MnDy6Mn2Fe4 cuboctahedra that share corners with eight equivalent FeDy6Mn4Fe2 cuboctahedra, corners with ten equivalent MnDy6Mn2Fe4 cuboctahedra, edges with six equivalent MnDy6Mn2Fe4 cuboctahedra, faces with six equivalent MnDy6Mn2Fe4 cuboctahedra, and faces with twelve equivalent FeDy6Mn4Fe2 cuboctahedra. Both Mn–Mn bond lengths are 2.60 Å. All Mn–Fe bond lengths are 2.57 Å. Fe is bonded to six equivalent Dy, four equivalent Mn, and two equivalent Fe atoms to form FeDy6Mn4Fe2 cuboctahedra that share corners with eight equivalent MnDy6Mn2Fe4 cuboctahedra, corners with ten equivalent FeDy6Mn4Fe2 cuboctahedra, edges with six equivalent FeDy6Mn4Fe2 cuboctahedra, faces with six equivalent FeDy6Mn4Fe2 cuboctahedra, and faces with twelve equivalent MnDy6Mn2Fe4 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: 1750254
• Report Number(s): mp-1225552
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Dy-Fe-Mn
DyMnFe
crystal structure