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The nature of the incommensurate structure in åkermanite, Ca 2 MgSi 2 O 7 , and the character of its transformation from the normal structure

2000; De Gruyter; Volume: 215; Issue: 11 Linguagem: Inglês

10.1524/zkri.2000.215.11.669

2196-7105

J. D. C. McConnell, Catherine McCammon, R. J. Angel, F. Seifert,

Advanced Condensed Matter Physics

Study of the Mössbauer effect over a range of both temperature and pressure on polycrystalline Fe-doped åkermanite, and X-ray measurements of spontaneous strain on single crystals of åkermanite under pressure, have been used to study the nature of the order parameters, and the characteristics for the transition of the normal to incommensurate structure in this compound. A recent study implies that the known atomic displacements in this phase must satisfy the symmetry of a space group irreducible representation induced from the representations A 2 and B 1 of the group associated with the vector 000 of the space group P¯42 1 m, the high temperature space group of melilite. The Mössbauer effect deals with local order, and may be explained directly in terms of the existence of two types of 57 Fe 2+ containing Z tetrahedra, one of which is simply rotated on the basis of the A 2 representation (η) and the other distorted on the basis of the diad symmetry of B 1 ,(Ξ). In contrast the single crystal strain effects observed by single crystal X-ray diffraction must be explained in terms of both local strains associated with the A 2 and B 1 distortions, and a macroscopic strain field which couples the local distortions under the full symmetry of the tetragonal phase.