Materials Data on YAlNi by Materials Project

Dataset · Thu Jul 16 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1189380· OSTI ID:1189380

YNiAl crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Y is bonded in a 5-coordinate geometry to five Ni and six equivalent Al atoms. There are four shorter (2.87 Å) and one longer (2.90 Å) Y–Ni bond lengths. There are two shorter (3.12 Å) and four longer (3.19 Å) Y–Al bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 9-coordinate geometry to six equivalent Y and three equivalent Al atoms. All Ni–Al bond lengths are 2.73 Å. In the second Ni site, Ni is bonded in a 9-coordinate geometry to three equivalent Y and six equivalent Al atoms. All Ni–Al bond lengths are 2.55 Å. Al is bonded in a 12-coordinate geometry to six equivalent Y, four Ni, and two equivalent Al atoms. Both Al–Al bond lengths are 2.83 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: 1189380
• Report Number(s): mp-13095
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Al-Ni-Y
YAlNi
crystal structure