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The crystal structure of the decomposition product NH4HC2O4 from powder diffraction data

  • N. Audebrand und D. Louër
Veröffentlicht/Copyright: 28. Februar 2008

Abstract

The crystal structure of anhydrous ammonium acid oxalate, NH4HC2O4, obtained from the thermal decomposition of the related hemihydrate has been determined from powder diffraction data collected with monochromatic laboratory X-rays, using the capillary technique. The crystal structure is monoclinic, P21/c, Z = 4, a = 4.3629(1) Å, b = 13.5657(1) Å, c = 7.7100(1) Å, β = 102.602(1)° and V = 445.3(1) Å3. The structure has been solved with the direct methods and refined with the Rietveld method, from which the agreement factors Rwp = 8.19% and RB = 5.18% have been obtained. The crystal structure consists of corrugated layers built from seven-fold ammonium coordination polyhedra and connected by oxalate groups. The hydrogen atom positions have been located and the hydrogen bond network is extensively discussed.

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Published Online: 2008-2-28
Published in Print: 2002-1-1

© 2002 Oldenbourg Wissenschaftsverlag GmbH

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