Acta Crystallographica Section B

Structural Science

Volume 54, Part 4 (August 1998)

research papers

Acta Cryst. (1998). B54, 399-416    [doi:10.1107/S0108768197019642]

Centrosymmetric or Noncentrosymmetric? Case Study, Generalization and Structural Redetermination of Sr₅Nb₅O₁₇

S. C. Abrahams, H. W. Schmalle, T. Williams, A. Reller, F. Lichtenberg, D. Widmer, J. G. Bednorz, R. Spreiter, Ch. Bosshard and P. Günter

Synopsis: Fifteen tests based upon X-ray diffraction data and seven tests based on physical measurement are presented for resolving centrosymmetric/noncentrosymmetric space-group ambiguities. The importance of including all reflections in association with their combined standard uncertainties is demonstrated in the elimination of systematic bias before the tests are applied.

	Structure factor file (SHELXL table format) (64.8 kbytes) Supplementary material
	Structure factor file (SHELXL table format) (64.8 kbytes) Supplementary material
	Structure factor file (SHELXL table format) (64.9 kbytes) Supplementary material
	Structure factor file (SHELXL table format) (64.9 kbytes) Supplementary material

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