Materials Data on HoMnAl by Materials Project

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

DOI:https://doi.org/10.17188/1665562· OSTI ID:1665562

HoMnAl is Hexagonal Laves-derived structured and crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Ho is bonded in a 12-coordinate geometry to four equivalent Ho, six equivalent Mn, and six equivalent Al atoms. There are two shorter (3.30 Å) and two longer (3.36 Å) Ho–Ho bond lengths. There are two shorter (3.12 Å) and four longer (3.23 Å) Ho–Mn bond lengths. All Ho–Al bond lengths are 3.19 Å. Mn is bonded to six equivalent Ho, two equivalent Mn, and four equivalent Al atoms to form MnHo6Mn2Al4 cuboctahedra that share corners with eight equivalent AlHo6Mn4Al2 cuboctahedra, corners with ten equivalent MnHo6Mn2Al4 cuboctahedra, edges with six equivalent MnHo6Mn2Al4 cuboctahedra, faces with six equivalent MnHo6Mn2Al4 cuboctahedra, and faces with twelve equivalent AlHo6Mn4Al2 cuboctahedra. Both Mn–Mn bond lengths are 2.73 Å. All Mn–Al bond lengths are 2.71 Å. Al is bonded to six equivalent Ho, four equivalent Mn, and two equivalent Al atoms to form AlHo6Mn4Al2 cuboctahedra that share corners with eight equivalent MnHo6Mn2Al4 cuboctahedra, corners with ten equivalent AlHo6Mn4Al2 cuboctahedra, edges with six equivalent AlHo6Mn4Al2 cuboctahedra, faces with six equivalent AlHo6Mn4Al2 cuboctahedra, and faces with twelve equivalent MnHo6Mn2Al4 cuboctahedra. Both Al–Al bond lengths are 2.75 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: 1665562
• Report Number(s): mp-1223751
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Al-Ho-Mn
HoMnAl
crystal structure