Published February 1, 1990
| Version v1
Journal article
The program SAPI and its applications. Pt. 3
- 1. Academia Sinica, Beijing (China). Inst. of Physics
- 2. Zhongshan Univ., Guangzhou, GD (China). Dept. of Chemistry
Description
Optimization has been made of the program SAPI for automatic solution of structures having pseudotranslational symmetry. This includes: (1) Floating default cutoff of E's; (2) automatic and user-adjustable balance between the number of systematically strong reflections and that of the systematically weak ones; (3) R factors for reflection subsets corresponding to the 'strong' group and the 'weak' groups. Examples on solving structures with pseudo-translational symmetry are discussed in detail. They include known as well as unknown structures and centrosymmetric as well as non-centrosymmetric structures, all of which can be solved starting from a default run of SAPI. (orig.)
Additional details
Additional titles
- Subtitle (English)
- Determination of structures having pseudo-translational symmetry
Publishing Information
- Journal Title
- Acta Crystallographica. Section A: Foundations of Crystallography
- Journal Volume
- 46
- Journal Issue
- 2
- Series
- Acta Crystallogr., Sect. A: Found. Crystallogr.
- Journal Page Range
- 99-103
- ISSN
- 0108-7673
- CODEN
- ACACE
INIS
- Country of Publication
- Denmark
- Country of Input or Organization
- Denmark
- INIS RN
- 22020291
- Subject category
- S75: CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY;
- Descriptors DEI
- COMPUTER CALCULATIONS; CRYSTAL STRUCTURE; CRYSTALLOGRAPHY; PROGRAMMING; SPACE GROUPS; SYMMETRY
- Descriptors DEC
- SYMMETRY GROUPS