Materials Data on LuAl2Pd5 by Materials Project

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

DOI:https://doi.org/10.17188/1355431· OSTI ID:1355431

The Materials Project

LuPd5Al2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Lu is bonded to twelve Pd atoms to form a mixture of face and corner-sharing LuPd12 cuboctahedra. There are four shorter (2.91 Å) and eight longer (2.96 Å) Lu–Pd bond lengths. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a distorted square co-planar geometry to four equivalent Lu atoms. In the second Pd site, Pd is bonded in a 6-coordinate geometry to two equivalent Lu and four equivalent Al atoms. There are two shorter (2.58 Å) and two longer (2.64 Å) Pd–Al bond lengths. Al is bonded in a body-centered cubic geometry to eight equivalent Pd atoms.

• 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: 1355431
• Report Number(s): mp-1025564
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
LuAl2Pd5
Al-Lu-Pd