Materials Data on NdAl4 by Materials Project

Dataset · Wed Oct 23 00:00:00 EDT 2019

DOI:https://doi.org/10.17188/1193065· OSTI ID:1193065

The Materials Project

Al4Nd crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Nd is bonded in a 8-coordinate geometry to sixteen Al atoms. There are eight shorter (3.27 Å) and eight longer (3.57 Å) Nd–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded to four equivalent Nd and eight Al atoms to form a mixture of corner, edge, and face-sharing AlNd4Al8 cuboctahedra. There are four shorter (2.66 Å) and four longer (3.01 Å) Al–Al bond lengths. In the second Al site, Al is bonded in a 9-coordinate geometry to four equivalent Nd and five Al atoms. The Al–Al bond length is 2.55 Å.

• Research Organization: Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
• Sponsoring Organization: USDOE Office of Science (SC), Basic Energy Sciences (BES)
• Contributing Organization: MIT; UC Berkeley; Duke; U Louvain
• DOE Contract Number: AC02-05CH11231; EDCBEE
• OSTI ID: 1193065
• Report Number(s): mp-1834
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
NdAl4
Al-Nd