Correlation between structural parameters of garnet and garnet-like structures

Citation
Da. Pawlak et al., Correlation between structural parameters of garnet and garnet-like structures, ACT CRYST B, 55, 1999, pp. 736-744
Citations number
14
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE
ISSN journal
01087681 → ACNP
Volume
55
Year of publication
1999
Part
5
Pages
736 - 744
Database
ISI
SICI code
0108-7681(19991001)55:<736:CBSPOG>2.0.ZU;2-2
Abstract
Statistical analysis of structural parameters of garnet and garnet-like str uctures retrieved from the Inorganic Crystal Structure Database has reveale d strong correlations between them. The degree of correlation depends on do ping site and garnet type. Structural parameters are not equally sensitive to changes imposed by doping. The strongest correlation exists between the unit-cell parameter and the doping-ion radius. In the case of doping at the dodecahedral sites, the most sensitive parameter is the shortest dodecahed ral distance. Principal component analysis (PCA clearly shows that the firs t component explains most of the variation of structural data. It has a geo metric basis and correlates with the effective radii of the doping ion. Par tial correlation helps to identify the strangest relations between pairs of variables when the influence of other structural variables on them is cont rolled. It appears that in some cases partial correlation has a different s ign when compared with the results of the standard correlation technique.