Ab initio determination of heavy oxide perovskite related structures from precession electron diffraction data.
Two complex perovskite-related structures were solved by ab initio from precession electron diffraction intensities. Structure models were firstly derived from HREM images and than have been confirmed independently using two and three-dimensional sets of precession intensities. Patterson techniques prove to be effective for ab initio structure resolution, specially in case of projections with no overlapping atoms. Quality of precession intensity data may be suitable enough to resolve unknown heavy oxide structures.
Boulahya
Khalid
K
Dpto. Química Inorgánica, Facultad de Ciencias Químicas, Universidad Complutense de Madrid, E28040 Madrid, Spain.
Ruiz-González
Luisa
L
Parras
Marina
M
González-Calbet
José M
JM
Nickolsky
M S
MS
Nicolopoulos
Stavros
S