Compositionally induced phase transitions and symmetry relations between space groups in the layered system FeIn1-xYxGe2O7.
Acta Crystallogr B Struct Sci Cryst Eng Mater
; 74(Pt 4): 394-402, 2018 Aug 01.
Article
em En
| MEDLINE
| ID: mdl-30141425
Symmetry reduction in the basic structure of thortveitite-type compound FeInGe2O7-mC22 (C12/m1, No. 12) promoted by the incorporation of yttrium in the formula FeIn1-xYxGe2O7 gives rise to a derivative structure called thortveitite-like AA'Ge2O7-mP44, with symmetry described by the space group P121/m1 (No. 11) for x = 0.50, 0.75 and 0.90. The structure remains unchanged within the structural type of thortveitite when x = 0.25. In order to establish structural models for performing a Rietveld refinement to the derivative structure, symmetry relations between space groups connecting the basic and derivative structures were used. The higher contrast to X-rays of Fe3+, In3+ and Y3+ as well as by the behaviour during the refinements of the isotropic thermal displacements, the values of interatomic distances and calculated bond-valence sums for each atom in the asymmetric unit, were helpful for elucidating the relocation of cations in the different available crystallographic sites generated by the symmetry reduction.
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1
Coleções:
01-internacional
Base de dados:
MEDLINE
Idioma:
En
Revista:
Acta Crystallogr B Struct Sci Cryst Eng Mater
Ano de publicação:
2018
Tipo de documento:
Article
País de afiliação:
México
País de publicação:
Reino Unido