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J. Hauck, K. Mika

Characteristic Lattice Complexes

2D and 3D lattice complexes with increased self-coordination numbers T_i, i = 1–3, of nearest, second and third neighbors were derived for characteristic Wyckoff sets with zero or one parameters. Structure types of adsorbed atoms in 2D or elements A in 3D and A_xB_y compounds are approximated to the list of lattice complexes. Covalent bonding or electronic effects of atoms like lone electron pairs or Jahn–Teller distortion give rise to deviations from lattice complexes. Homogeneous structures A_xB_y with identical A–A or B–B self-coordination numbers T₁, T₂, T₃ of nearest, next-nearest and third neighbors are selected for different systems like magnetic ordering with A = + and B = − spin direction or crystals of organic molecules with different orientations.

Zeitschrift für Physikalische Chemie, Oldenbourg Wissenschaftsverlag

Print ISSN: 0942-9352
Volume: 219, 04/2005
Pages: 439 - 454

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