Structure, ordering, and bonding of half antiperovskites: PbNi3/2S and BiPd3/2S
Langue
en
Article de revue
Ce document a été publié dans
Progress in Solid State Chemistry. 2007, vol. 35, n° 2-4, p. 309-327
Elsevier
Résumé en anglais
In a model study the crystal structures of shandite (Pb2Ni3S2), parkerite (Bi2Ni3S2) and their Pd homologues are investigated in terms of ordered half antiperovskites AM3/2S (A = Pb, Bi; M = Ni, Pd). This addresses fundamental ...Lire la suite >
Mots clés en anglais
Half antiperovskite
Ordering
Shandite
Parkerite
DFT
LDA
ASW
ECOV