Positional Flexibility: Syntheses and Characterization of Six Uranium Chalcogenides Related to the 2H Hexagonal Perovskite Family

Abstract : Six new uranium chalcogenides, Ba4USe6, Ba3FeUSe6, Ba3MnUSe6, Ba3MnUS6, Ba3.3Rb0.7US6, and Ba3.2K0.8US6, related to the 2H hexagonal perovskite family have been synthesized by solid-state methods at 1173 K. These isostructural compounds crystallize in the K4CdCl6 structure type in space group D-3d(6) R3 (\₎c of the trigonal system with six formula units per cell. This structure type is remarkably flexible. The structures of Ba3FeUSe6, Ba3MnUSe6, and Ba3MnUS6 consist of infinite (1)(infinity)[MUQ(6) (6-)] chains (M = Fe or Mn; Q = S or Se) oriented along the c axis that are separated by Ba atoms. These chains are composed of alternating M-centered octahedra and U-centered trigonal prisms sharing triangular faces; in contrast, in the structures of Ba4USe6, Ba3.3Rb0.7US6, and Ba3.2K0.8US6, there are U-centered octahedra alternating with Ba-, Rb-, or K-centered trigonal prisms. Moreover, the Ba4USe6, Ba3FeUSe6, Ba3MnUSe6, and Ba3MnUS6 compounds contain U4+, whereas Ba3.3Rb0.7US6 and Ba3.2K0.8US6 are mixed U4+/5+ compounds. Resistivity and mu-Raman spectroscopic measurements and DFT calculations provide additional insight into these interesting subtle structural variations.
Type de document :
Article dans une revue
Inorganic Chemistry, American Chemical Society, 2015, 54 (6), pp.2851-2857. 〈10.1021/ic5029806〉
Liste complète des métadonnées

https://hal.univ-lorraine.fr/hal-01521907
Contributeur : Crm2 Ul <>
Soumis le : vendredi 12 mai 2017 - 14:44:08
Dernière modification le : mercredi 31 janvier 2018 - 12:14:47

Identifiants

Citation

Adel Mesbah, Jai Prakash, Jessica C. Beard, Eric A. Pozzi, Mariya S. Tarasenko, et al.. Positional Flexibility: Syntheses and Characterization of Six Uranium Chalcogenides Related to the 2H Hexagonal Perovskite Family. Inorganic Chemistry, American Chemical Society, 2015, 54 (6), pp.2851-2857. 〈10.1021/ic5029806〉. 〈hal-01521907〉

Partager

Métriques

Consultations de la notice

218