Correlation of Zero Field Splittings and Site Distortions III. MnBr4 2- and Crystal Structure Refinements for Rb3ZnBr5 and Cs2ZnBr4
Open Access
- 1 March 1981
- journal article
- Published by Walter de Gruyter GmbH in Zeitschrift für Naturforschung A
- Vol. 36 (3) , 286-293
- https://doi.org/10.1515/zna-1981-0313
Abstract
EPR data for Mn2+ in Cs2ZnBr4, Rb3ZnBr5, Cs3CdBr5 and [(CH3)4N]2ZnBr4 single crystals were determined and the crystal structures of Rb3ZnBr5 and Cs2ZnBr4 were refined. Superposition analysis of the fine structure data for the latter two compounds resulted in an intrinsic zero field splitting parameter b̄2 for MnBr4 2- of + 0.44 cm-1 suggesting a sizeable positive contribution of covalency. Cs3CdBr5 was prepared in single crystals for the first time. It crystallizes in a primitive tetragonal space group. From the fine structure parameter 62° and the above value of b̄2 an elongation of the CdBr4 2- tetrahedra along the c-axis with a bond angle of 105.7° was determined. This result is in agreement with the anisotropy of the 55Mn hyperfine splitting constant with A|| = -68.6 and A±= - 70.6 • 10-4 cm-1Keywords
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