Syntheses, modulated crystal structures of Ba6−2xU2+xAg4Se12 (x = 0 and 0.5), and crystal structure and spectroscopy of Sr4Th2.78Cu4S12
| Autor: | Jessica C. Beard, Adel Mesbah, Jai Prakash, James A. Ibers, Sébastien Lebègue, Christos D. Malliakas |
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| Přispěvatelé: | Northwestern University [Evanston], Interfaces de Matériaux en Evolution (LIME), Institut de Chimie Séparative de Marcoule (ICSM - UMR 5257), Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)-Université de Montpellier (UM)-Ecole Nationale Supérieure de Chimie de Montpellier (ENSCM)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)-Université de Montpellier (UM)-Ecole Nationale Supérieure de Chimie de Montpellier (ENSCM)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA), Cristallographie, Résonance Magnétique et Modélisations (CRM2), Université de Lorraine (UL)-Centre National de la Recherche Scientifique (CNRS), IMPACT N4S, ANR-15-IDEX-0004,LUE,Isite LUE(2015), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Ecole Nationale Supérieure de Chimie de Montpellier (ENSCM)-Institut de Chimie du CNRS (INC)-Université de Montpellier (UM)-Centre National de la Recherche Scientifique (CNRS)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Ecole Nationale Supérieure de Chimie de Montpellier (ENSCM)-Institut de Chimie du CNRS (INC)-Université de Montpellier (UM)-Centre National de la Recherche Scientifique (CNRS), Laboratoire de Physique et Chimie Théoriques (LPCT), Institut de Chimie du CNRS (INC)-Université de Lorraine (UL)-Centre National de la Recherche Scientifique (CNRS) |
| Rok vydání: | 2018 |
| Předmět: |
Band gap
Crystal structure [CHIM.INOR]Chemical Sciences/Inorganic chemistry 010402 general chemistry 01 natural sciences Inorganic Chemistry Group (periodic table) [CHIM.CRIS]Chemical Sciences/Cristallography Materials Chemistry [CHIM]Chemical Sciences Physical and Theoretical Chemistry Spectroscopy ComputingMilieux_MISCELLANEOUS 010405 organic chemistry business.industry [CHIM.MATE]Chemical Sciences/Material chemistry Condensed Matter Physics 0104 chemical sciences Electronic Optical and Magnetic Materials Crystallography Semiconductor Ceramics and Composites Direct and indirect band gaps Orthorhombic crystal system business Monoclinic crystal system |
| Zdroj: | Journal of Solid State Chemistry Journal of Solid State Chemistry, Elsevier, 2018, 268, pp.30-35. ⟨10.1016/j.jssc.2018.08.025⟩ Journal of Solid State Chemistry, 2018, 268, pp.30-35. ⟨10.1016/j.jssc.2018.08.025⟩ |
| ISSN: | 0022-4596 1095-726X |
| Popis: | Single crystals of Ba6−2xU2+xAg4Se12 (x = 0 and 0.5) and Sr4Th2.78Cu4S12 were obtained by standard solid-state chemistry methods at 1173 K. The Ba6−2xU2+xAg4Se12 structures are modulated. They were solved and refined in the monoclinic C2(α0γ)0 super space group. The structure consists of layers formed by the connection of USe6 and AgSe4 polyhedra. The incommensurate nature of the structure arises from the disorder among Ba atoms and U atoms in the layers. The crystal structure of the Sr4Th2.78Cu4S12 was solved in space group Pmn21 of the orthorhombic system. The refinement of the structure reveals three partially occupied Th sites. The connection of ThS7 and CuS4 polyhedra form a channel structure filled by Sr atoms. From optical measurements Sr4Th2.78Cu4S12 is a semiconductor with an indirect band gap of 2.27(2) eV. |
| Databáze: | OpenAIRE |
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