Li2∙3IO3∙H3O: Crystal Structure and IR Spectrum

19 Sept 2023, 17:23
1m
Poster X–ray Based Optics and Diffractometry Poster session II

Speaker

Dr Ruzan Sukiasyan (Institute of Applied Problems of Physics, NAS of Armenia)

Description

In recent years studies have shown that doping a crystal with amino acids improves the non-linear optical properties of α-LiIO3crystal [1, 2]. The authors[3] have studied the interaction of lithium with iodic acid and have shown that, at compositions close to 0.2≤x≤O.34, 2LiIO3•HIO3crystals are formed in a mixture of Li1-xHxIO3.
The present work deals with the synthesis, IR spectrum, thermal, and crystal structure study of the new lithium iodate crystal Li2•3IO3•H3O.The crystal was obtained by doping the α-LiIO3 crystal with amino acids of more than 5mol․%.Crystal structure of 2(Li)+(H3O)+3(IO3)– was determined by single-crystal X-Ray diffraction analysis at 100(2) K. It crystallizes in the monoclinic system (P21/n) with the parameters: a=8.3266(12) Å, b = 10.9893(17) Å, c = 11.2472(17) Å, α= γ=90°, β= 111.360(4)°and Z(Z') = 4(1). The structure was refined to R = 0.0215 and ωR = 0.0580 for 2276 reflections. The structure contains a hydronium cation(H3O)+, three crystallographic independent trigonal pyramidal IO3 anions, two independent cations(Li+) coordinated each by four oxygen atoms (3IO3) at apices of strongly deformed tetrahedrons, see Fig. 1. The Li-O bond lengths are similar to the bond lengths in the Li2HPO3•H2O crystal [4]. The research results have revealed the mechanisms of crystal formation and the characteristic absorption bands of functional groups, which is of scientific importance.

Author

Dr Ruzan Sukiasyan (Institute of Applied Problems of Physics, NAS of Armenia)

Co-authors

Dr Armen K. Atanesyan (Institute of Applied Problems of Physics, NAS of Armenia) Mrs Astghik A. Danghyan (Institute of Applied Problems of Physics, NAS of Armenia) Dr Douglas R. Powell (Molecule Crystallography Lab, Department of Chemistry and Biochemistry, University of Oklahoma) Dr Ruben A. Apreyan (Institute of Applied Problems of Physics, NAS of Armenia)

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