Analysis of the environment of beryllium, magnesium and alkaline earth atoms in oxygen-containing compounds

Citation
Va. Blatov et al., Analysis of the environment of beryllium, magnesium and alkaline earth atoms in oxygen-containing compounds, ACT CRYST B, 55, 1999, pp. 139-146
Citations number
23
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
2
Pages
139 - 146
Database
ISI
SICI code
0108-7681(19990401)55:<139:AOTEOB>2.0.ZU;2-E
Abstract
About 2100 inorganic and organometallic compounds containing beryllium, mag nesium and alkaline earth atoms (M) were investigated with Voronoi-Dirichle t polyhedra (VDPs). It is shown that the coordination numbers (CNs) of the M atoms in MOn coordination polyhedra can be determined by means of VDPs wi thout crystal-chemical radii. The distributions of the M-O distances in the coordination spheres of the M atoms are bimodal for M = Be or Mg and monom odal for the other alkaline earth metals. Beryllium and magnesium coordinat ion polyhedra containing weak M-O contacts were classified by variants of t heir distortions. It is found that the volume of the domains of the Mg, Ca, Sr and Ba atoms is independent of their CNs at CN greater than or equal to 6 (up to 16 for barium). The possibility of using the model of deformable spheres to describe the crystal structure of the compounds investigated is suggested.