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Crystal Field Theory of Hexagonal Fluorides of the Type ABF 3
Author(s) -
Jäger E.
Publication year - 1972
Publication title -
physica status solidi (b)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.51
H-Index - 109
eISSN - 1521-3951
pISSN - 0370-1972
DOI - 10.1002/pssb.2220510231
Subject(s) - crystal (programming language) , ion , hexagonal crystal system , field (mathematics) , charge (physics) , crystal field theory , type (biology) , point particle , crystallography , materials science , chemistry , physics , mathematics , geology , quantum mechanics , pure mathematics , paleontology , organic chemistry , computer science , programming language
On the basis of the point charge model the crystal field potential of hexagonal fluoroperovskite ABF 3 , is calculated. Explicit expressions of the distances and angles of those ions forming the ten nearest environments of a B‐ion are given. As an example the crystal field potential acting on the Ni 2+ ions in RbNiF 3 , is Calculated. Comparison with optical spectra shows that the calculated and measured crystal field splittings 10 Dq differ by a factor 4 to 5.