Total neutron diffraction: a route to the correct local structure of disordered LaMo2O5 and its application to the model compound Zn2Mo3O8

Hibble, S.J.; Cooper, S.P.; Patat, S.; Hannon, A.C.

doi:10.1107/S0108768199004103

Acta Crystallographica Section B
Acta Crystallographica
Section B STRUCTURAL SCIENCE, CRYSTAL ENGINEERING AND MATERIALS

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Figure 3
(a) Final fitted profiles [points: observed; line: calculated; lower plot: (I_obs − I_calc)/s.u.] from the Rietveld refinement of Zn₂Mo₃O₈. Tick lines directly above the diffraction pattern indicate the positions of the allowed reflections. (b) Final fitted profiles [points: observed; line: calculated; lower plot: (I_obs − I_calc)/s.u.] from Rietveld refinement of LaMo₂O₅ using the disordered model in space group P6₃/mmc. The arrows indicate the positions of two Bragg peaks unaccounted for by our models.

STRUCTURAL SCIENCE
CRYSTAL ENGINEERING
MATERIALS

ISSN: 2052-5206

Volume 55| Part 5| October 1999| Pages 683-697

doi:10.1107/S0108768199004103

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