Molybdates are very important compounds which are used in a wide range of applications such as lubricants, catalyst and corrosion inhibitors. In this work, synthesis and results of powder diffraction studies of 1,2- and 1,3-diaminopropane octamolybdates are presented.

The compounds have been obtained by reaction of molybdic acid with 1,2-diaminopropane and 1,3-diaminopropane in acidic solution (acetic acid, formic acid), respectively. Crystal structures have been determined by X-ray powder diffraction method.

The lattice parameters and space groups were determined using PROSZKI package [1]. The crystal structure models were obtained by global optimization methods (FOX program [2]) and by direct methods (EXPO program [3]). Final refinements by the Rietveld method were performed using Jana2000 [4] and GSAS [5-6] programs.

Investigated octamolybdates crystallize in the monoclinic space groups: P2₁/n and P2₁/c with: a=11.524(2), b=17.415(3), c=7.900(2) Å, β=109.87(2)°, V=1491.0(4) ų (1,2-diaminopropane) and a=12.696(2), b=15.176(2), c=7.838(2) Å, β=96.89(2)°, V=1499.2(4) ų (1,3-diaminopropane). Both compounds were also investigated using TG/DSC, IR and XRPD thermal decomposition studies.

Fig.1. Structure scheme for [Mo₈O₂₆]^4- anion.

[1] W. Łasocha, K. Lewinski, PROSZKI–a system of programs for powder diffraction data analysis, J. Appl. Crystall., 27, 1994, 437-438
[2] V. Favre–Nicolin, R. Cerny, J. Appl. Cryst., 2002, 35, 734–743
[3] A. Altomare, M. C. Burla, M. Camalli, B. Carrozzini, G. L. Cascarano, C. Giacovazzo, A. Guagliardi, G. Moliterni, G. Polidori, R. Rizzi, J. Appl. Cryst., 1999, 32, 339–340
[4] V. Petricek, M. Dusek, L. Palatinus, Jana2000. The crystallographic computing system. Institute of Physics, Praha, Czech Republic, 2000
[5] A. C Larson, R. B. Von Dreele, GSAS, Los Alamos National Laboratory Report LAUR 86-748, 2000
[6] B. H. Toby, EXPGUI, J. Appl. Cryst. 34, 2001, 210-213

The support of the Polish MEiN; grant 1T09A 07730 is gratefully acknowledged.

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