Acta Crystallographica Section B

Structural Science

Volume 61, Part 6 (December 2005)

research papers

Acta Cryst. (2005). B61, 663-668 [ doi:10.1107/S010876810503212X ]

Structures of Na₉[SO₄]₄X·2H₂O₂, where X = Cl or Br, in which the halide anions orchestrate extended orientation sequences of H₂O₂ solvate molecules

R. G. Pritchard, Z. Begum, Y. F. Lau and J. Austin

Abstract: Detailed structures of nonasodium tetrakis(sulfate) chloride diperhydrate, Na₉[SO₄]₄Cl·2H₂O₂, and its novel bromide analogue are compared. Hydrogen peroxide could not be resolved in a previously reported Na₉[SO₄]₄Cl·2H₂O₂ substructure [tetragonal, P4/mnc; Adams et al. (1978), J. Chem. Soc. Chem. Commun. p. 288; Adams & Pritchard (1978), Acta Cryst. B34, 1428-1432]. However, on lowering the symmetry to P4/n, and using reflection data based on full unit-cells, the H₂O₂ solvate can be clearly seen. Although H₂O₂ molecules are not directly bonded to the halide anions, they exert considerable influence on the eight sodium cations that constitute each halide's coordination shell so that H₂O₂ ordering can be linked to halide dimensions.

Keywords: sodium bromide; orientation sequences; perhydrate; sodium sulfate; hydrogen peroxide.


	Structure factor file (CIF format) (411.0 kbytes) Contains datablock kc

	Structure factor file (CIF format) (158.3 kbytes) Contains datablock rgp29c

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