On the incorrect assignment of space groups. I. Choosing the smallest primitive unit cell

Authors
Citation
Sz. Hu, On the incorrect assignment of space groups. I. Choosing the smallest primitive unit cell, CHIN J ST C, 18(6), 1999, pp. 470-475
Citations number
11
Categorie Soggetti
Inorganic & Nuclear Chemistry
Journal title
CHINESE JOURNAL OF STRUCTURAL CHEMISTRY
ISSN journal
02545861 → ACNP
Volume
18
Issue
6
Year of publication
1999
Pages
470 - 475
Database
ISI
SICI code
0254-5861(1999)18:6<470:OTIAOS>2.0.ZU;2-Y
Abstract
Deriving the smallest primitive unit cells, necessary to describe the trans lational periodicity of a crystal structure, is the first step toward choos ing the correct space group. Among these smallest cells, only the reduced c ell is unique and useful in selection of a Bravais lattice. Examples of bot h too small and too large a cell selected are illustrated, and the correct space groups and atomic coordinates are also given.