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X‐ray Powder Diffraction Study and Vibrational Spectra of Calcium Cadmium Formate
Author(s) -
Stoilova D.,
Vassileva V.
Publication year - 1999
Publication title -
crystal research and technology
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.377
H-Index - 64
eISSN - 1521-4079
pISSN - 0232-1300
DOI - 10.1002/(sici)1521-4079(199903)34:3<397::aid-crat397>3.0.co;2-z
Subject(s) - formate , isostructural , monoclinic crystal system , crystallography , crystal structure , chemistry , infrared spectroscopy , bond length , spectral line , materials science , stereochemistry , physics , organic chemistry , astronomy , catalysis
It has been established that the double salt CaCd(HCOO) 4 is isostructural with CuSr(HCOO) 4 . It crystallizes in the monoclinic space group P2/c ‐ C2h 4 with lattice parameters: a = 7.5309(2)Å, b = 8.8815(4)Å, c = 6.4267(2)Å, β = 92.153(2), and V = 429.55(3)Å 3 . The analysis of the infrared spectra shows that the internal formate modes reflect the existence of two crystallographically inequivalent formate groups in the crystal lattices. The additional split of each formate mode into two components is due to the correlation field splitting. The frequency separations between the asymmetric and symmetric C‐O stretching modes are explained in terms of different C‐O bond lengths within each formate group and the frequency separation of the v 4 components in terms of different C‐O bond lengths of the formate groups.