Multidimensional Rietveld refinement of high-pressure neutron diffraction data of PbNCN.
SNAP beamline
angular dispersion
high-pressure studies
lead cyanamide
multidimensional Rietveld refinement
neutron diffraction
wavelength dispersion
Journal
Journal of applied crystallography
ISSN: 0021-8898
Titre abrégé: J Appl Crystallogr
Pays: United States
ID NLM: 9876190
Informations de publication
Date de publication:
01 Oct 2024
01 Oct 2024
Historique:
received:
14
11
2023
accepted:
02
08
2024
medline:
10
10
2024
pubmed:
10
10
2024
entrez:
10
10
2024
Statut:
epublish
Résumé
High-pressure neutron powder diffraction data from PbNCN were collected on the high-pressure diffraction beamline SNAP located at the Spallation Neutron Source (SNS) of Oak Ridge National Laboratory (Tennessee, USA). The diffraction data were analyzed using the novel method of multidimensional (two dimensions for now, potentially more in the future) Rietveld refinement and, for comparison, employing the conventional Rietveld method. To achieve two-dimensional analysis, a detailed description of the SNAP instrument characteristics was created, serving as an instrument parameter file, and then yielding both cell and spatial parameters as refined under pressure for the first time for solid-state cyanamides/carbodi-imides. The bulk modulus
Identifiants
pubmed: 39387076
doi: 10.1107/S1600576724007635
pii: S1600576724007635
pmc: PMC11460395
doi:
Types de publication
Journal Article
Langues
eng
Pagination
1436-1445Informations de copyright
© Yannick Meinerzhagen et al. 2024.