Materials Data on Lu5(In2Pd)2 by Materials Project

Dataset · Fri Jan 11 04:00:00 EST 2019

DOI:https://doi.org/10.17188/1682688· OSTI ID:1682688

Lu5(PdIn2)2 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. there are three inequivalent Lu sites. In the first Lu site, Lu is bonded in a distorted body-centered cubic geometry to eight In atoms. There are four shorter (3.16 Å) and four longer (3.28 Å) Lu–In bond lengths. In the second Lu site, Lu is bonded in a 10-coordinate geometry to four equivalent Pd and six In atoms. There are two shorter (2.90 Å) and two longer (2.93 Å) Lu–Pd bond lengths. There are a spread of Lu–In bond distances ranging from 3.28–3.40 Å. In the third Lu site, Lu is bonded in a 8-coordinate geometry to two equivalent Pd and six In atoms. Both Lu–Pd bond lengths are 2.81 Å. There are a spread of Lu–In bond distances ranging from 3.17–3.36 Å. Pd is bonded in a 9-coordinate geometry to six Lu and three In atoms. There are a spread of Pd–In bond distances ranging from 2.92–3.28 Å. There are two inequivalent In sites. In the first In site, In is bonded in a 9-coordinate geometry to eight Lu and one Pd atom. In the second In site, In is bonded in a 1-coordinate geometry to eight Lu and two equivalent Pd 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: 1682688
• Report Number(s): mp-1192497
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
In-Lu-Pd
Lu5(In2Pd)2
crystal structure