Solving crystal structures without Fourier mapping. II. Non-centrosymmetric case

Citation
K. Pilz et Kf. Fischer, Solving crystal structures without Fourier mapping. II. Non-centrosymmetric case, Z KRISTALL, 215(11), 2000, pp. 640-649
Citations number
31
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
ZEITSCHRIFT FUR KRISTALLOGRAPHIE
ISSN journal
00442968 → ACNP
Volume
215
Issue
11
Year of publication
2000
Pages
640 - 649
Database
ISI
SICI code
0044-2968(2000)215:11<640:SCSWFM>2.0.ZU;2-O
Abstract
An algebraic method for the determination of one-dimensional centrosymmetri c structures (or projections) of equal atoms has been extended to crystals without a centre of symmetry. The technique is an (almost) ab initio one, p rovides higher resolution than a Fourier map using the same number of struc ture factors, and permits either a unique solution compatible with the data employed or provides all possible solutions. It appears suitable in partic ular for partial structures with not too many atoms per asymmetric unit (e. g. anomalous scatterers in a "biological" crystal structure). It only needs rather selected data: from central reciprocal lattice rows for one-dimensi onal projections plus from (at least) two rows parallel to the first ones f or three-dimensional structures.