Materials Data on GdAlNi4 by Materials Project

Dataset · Sun May 03 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1704163· OSTI ID:1704163

GdNi4Al crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Gd is bonded in a 6-coordinate geometry to fourteen Ni and four equivalent Al atoms. There are a spread of Gd–Ni bond distances ranging from 2.81–3.18 Å. All Gd–Al bond lengths are 3.23 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 12-coordinate geometry to three equivalent Gd, four equivalent Ni, and two equivalent Al atoms. All Ni–Ni bond lengths are 2.48 Å. Both Ni–Al bond lengths are 2.46 Å. In the second Ni site, Ni is bonded to four equivalent Gd, six Ni, and two equivalent Al atoms to form a mixture of distorted edge, face, and corner-sharing NiGd4Al2Ni6 cuboctahedra. Both Ni–Ni bond lengths are 2.52 Å. Both Ni–Al bond lengths are 2.46 Å. Al is bonded in a 12-coordinate geometry to four equivalent Gd and eight 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: 1704163
• Report Number(s): mp-1224779
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Al-Gd-Ni
GdAlNi4
crystal structure