Détermination de la structure cristalline du ferrite de baryum Ba2Fe6O11 |
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Authors: | Jean-Claude Boivin Daniel Thomas Gerard Pouillard Pierre Perrot |
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Affiliation: | Laboratoire de Cristallochimie, Ecole Nationale Supérieure de Chimie de Lille B.P. 40, 59650 Villeneuve d''Ascq, France;Laboratoire de Thermodynamique du Solide, Ecole Nationale Supérieure de Chimie de Lille, B.P. 40, 59650 Villeneuve d''Ascq, France |
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Abstract: | The crystal structure of dibarium triferrite Ba2Fe6O11 has been solved by direct methods, using intensity data collected by means of an automated diffractometer (MoKα radiation) and corrected for absorption. It crystallizes in the orthorhombic space group Pnnm: a = 23.024(10)Å, b = 5.181(3) Å, c = 8.900(4) Å, Z = 4. Program MULTAN was successfully used for locating Ba2+ and most of the Fe3+ ions. The structure was further refined by conventional Fourier and least-squares methods (full-matrix program) to a final R value of 0.045 for 1448 observed reflections. Fe3+ ions occur in both octahedral (FeO mean distance: 2.02 Å) and tetrahedral (FeO mean distance: 1.865 Å) coordination. Two types of Ba2+ ions are found, with six and seven neighboring oxygen atoms. The structure consists of sheets of edge-shared FeO6 octahedra which are connected by means of corner-shared tetrahedra. |
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Keywords: | Auteur auquel la correspondance peut être adressée. |
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