Materials Data on YAl3Ni2 by Materials Project

Dataset · Wed Jul 15 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1262784· OSTI ID:1262784

YNi2Al3 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. there are two inequivalent Y sites. In the first Y site, Y is bonded in a 6-coordinate geometry to six equivalent Ni and twelve Al atoms. All Y–Ni bond lengths are 3.12 Å. There are six shorter (3.18 Å) and six longer (3.31 Å) Y–Al bond lengths. In the second Y site, Y is bonded in a hexagonal planar geometry to six equivalent Ni atoms. All Y–Ni bond lengths are 2.84 Å. Ni is bonded in a 9-coordinate geometry to three Y and six Al atoms. All Ni–Al bond lengths are 2.49 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 12-coordinate geometry to two equivalent Y and four equivalent Ni atoms. In the second Al site, Al is bonded in a 12-coordinate geometry to four equivalent Y and four equivalent Ni atoms.

• 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: 1262784
• Report Number(s): mp-5063
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Al-Ni-Y
YAl3Ni2
crystal structure