Remarkable features in lattice-parameter ratios of crystals. II. Monoclinic and triclinic crystals

The frequency distributions of monoclinic crystals as a function of the lattice‐parameter ratios resemble the corresponding ones of orthorhombic crystals: an exponential component, with more or less pronounced sharp peaks, with in general the most important peak at the ratio value 1. In addition, th...

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Bibliographic Details
Published in:Acta crystallographica. Section B, Structural science Structural science, 2005-06, Vol.61 (3), p.296-303
Main Authors: Janner, A., De Gelder, R.
Format: Article
Language:English
Subjects:
bio-macromolecules
Biological and medical sciences
Chemical compounds
Crystal structure
Crystallization
Crystallography
Databases as Topic
Fundamental and applied biological sciences. Psychology
General aspects
lattice-parameter ratios
Macromolecular Substances - chemistry
metric tensors
Molecular biophysics
Molecular Structure
Organic Chemicals - chemistry
Organometallic Compounds - chemistry
Structure and bonding
Theory and modeling
computer simulation
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Summary:The frequency distributions of monoclinic crystals as a function of the lattice‐parameter ratios resemble the corresponding ones of orthorhombic crystals: an exponential component, with more or less pronounced sharp peaks, with in general the most important peak at the ratio value 1. In addition, the distribution as a function of the monoclinic angle β has a sharp peak at 90° and decreases sensibly at larger angles. Similar behavior is observed for the three triclinic angular parameters α, β and γ, with characteristic differences between the organic and metal‐organic, bio‐macromolecular and inorganic crystals, respectively. The general behavior observed for the hexagonal, tetragonal, orthorhombic, monoclinic and triclinic crystals {in the first part of this series [de Gelder & Janner (2005). Acta Cryst. B61, 287–295] and in the present case} is summarized and commented. The data involved represent 366 800 crystals, with lattice parameters taken from the Cambridge Structural Database, CSD (294 400 entries), the Protein Data Bank, PDB (18 800 entries), and the Inorganic Crystal Structure Database, ICSD (53 600 entries). A new general structural principle is suggested.
ISSN:0108-7681
2052-5192
1600-5740
2052-5206
DOI:10.1107/S010876810500697X