Materials Data on Pd3(NO)16 by Materials Project

Dataset · Sat May 02 00:00:00 EDT 2020

DOI:https://doi.org/10.17188/1697499· OSTI ID:1697499

The Materials Project

Pd(PdN3)2(N2)2(NO2)2(NO3)4 crystallizes in the tetragonal I-42m space group. The structure is zero-dimensional and consists of eight ammonia molecules, eight nitric acid molecules, four nitrous acid molecules, two palladium molecules, and four PdN3 clusters. In each PdN3 cluster, Pd+2.67+ is bonded in a 1-coordinate geometry to three N+1.50+ atoms. There is one shorter (1.93 Å) and two longer (2.03 Å) Pd–N bond length. There are two inequivalent N+1.50+ sites. In the first N+1.50+ site, N+1.50+ is bonded in a single-bond geometry to one Pd+2.67+ atom. In the second N+1.50+ site, N+1.50+ is bonded in a 1-coordinate geometry to one Pd+2.67+ atom.

• 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: 1697499
• Report Number(s): mp-1202122
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
Pd3(NO)16
N-O-Pd