Structure of the modulation in thiourea. II. Structure refinement

作者: T. Simonson , F. Dénoyer , R. Currat , C. Vettier

DOI: 10.1051/JPHYS:01988004903047100

关键词: DiffractionLandau theoryCrystallographyPhase (waves)Crystal structureSuperspaceNeutron diffractionAmplitudeAtomic physicsPhysicsHarmonicsGeneral Engineering

摘要: We describe structure refinement of the long-period, commensurate, q=b*/9 phase thiourea, using neutron diffraction data and model derived in a previous paper. The primary distorsion wave two harmonics are taken into account fitted to 660 fundamental satellite reflections. displacive modulation is mainly sinusoidal rotation around b axis (R =0.116 rad) translation along c (T=0.03 c), with small longitudinal non-sinusoidal components. Amplitudes three |Q 3q |∼|Q q |/10; |/100≤|Q 2q | Description de l'affinement la commensurable thiouree, partir donnees neutrons et du modele decrit dans un article anterieur. Comparaison l'information fournie par le developpement Landau l'energie libre avec description les groupes superespace

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