Preparation,crystal structure and characterization of α-NaSbP2S6 and β-NaSbP2S6 phases |
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| Affiliation: | 1. Sobolev Institute of Geology and Mineralogy, Siberian Branch of Russian Academy of Sciences, 3 Acad. Koptyug Avenue, 630090 Novosibirsk, Russia;2. Nikolaev Institute of Inorganic Chemistry, Siberian Branch of Russian Academy of Sciences, 3 Acad. Lavrentiev Avenue, 630090 Novosibirsk, Russia;3. Novosibirsk State University, 2 Pirogova Str., 630090 Novosibirsk, Russia;4. South Ural State University, 76 Lenin Avenue, 454080 Chelyabinsk, Russia;5. Kirensky Institute of Physics, Siberian Branch of Russian Academy of Sciences, Akademgorodok Str. 50/38, 660036 Krasnoyarsk, Russia;6. Far Eastern State Transport University, 47 Serysheva Str., 680021 Khabarovsk, Russia;7. Siberian Federal University, 79 Svobodny Ave., 660041 Krasnoyarsk, Russia;1. State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou, 350002, PR China;2. University of Chinese Academy of Sciences, Beijing 100039, PR China;1. Center for Crystal R&D, Key Lab Functional Crystals and Laser Technology of Chinese Academy of Sciences, Technical Institute of Physics and Chemistry, Chinese Academy of Sciences, Beijing 100190, PR China;2. University of Chinese Academy of Sciences, Beijing 100190, PR China;1. Beijing Center for Crystal Research and Development, Key Laboratory of Functional Crystals and Laser Technology, Technical Institute of Physics and Chemistry, Chinese Academy of Sciences, Beijing 100190, PR China;2. University of the Chinese Academy of Sciences, Beijing 100049, PR China;3. Institute of Functional Crystal Materials, Tianjin University of Technology, Tianjin 300384, PR China;1. Department of Chemistry, Northwestern University, 2145 Sheridan Road, Evanston, IL 60208-3113, United States;2. ICSM, UMR 5257 CEA / CNRS / UM / ENSCM, Site de Marcoule-Bâtiment 426, BP 17171, 30207 Bagnols-sur-Cèze Cedex, France;3. Laboratoire de Cristallographie, Résonance Magnétique, et Modélisations CRM2 (UMR UHP-CNRS 7036), Faculté des Sciences et Techniques, Université de Lorraine, BP 70239, Boulevard des Aiguillettes, 54506 Vandoeuvre-lès-Nancy Cedex, France;1. State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou 350002, China;2. University of Chinese Academy of Sciences, Beijing 100049, China |
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| Abstract: | The new phases α-NaSbP2S6 and β-NaSbP2S6 were synthesized by ceramic and reactive flux methods at 773 K. The structures of α-NaSbP2S6 and β-NaSbP2S6 were determined by the single-crystal X-ray diffraction technique. α-NaSbP2S6 crystallizes in the monoclinic space group P21/c with a = 11.231(2) Å, b = 7.2807(15) Å, c = 11.640(2) Å, β = 108.99(3)°, V = 900.0(3) Å3 and z = 4. β-NaSbP2S6 crystallizes in the monoclinic space group P21 with a = 6.6167(13) Å, b = 7.3993(15) Å, c = 9.895(2) Å, β = 92.12(3) °, V = 484.10(17) Å3 and z = 2.The α- and β-phases of NaSbP2S6 are closely related, the main difference lies in the stacking of the SbP2S6]]nn? layers. The structure of α-NaSbP2S6 consists of two condensed layers (MPS3 type) to give an ABAB… sequence with Na+ cations located in the interlayer space. The packing of β-NaSbP2S6 is formed by monolayers of SbP2S6]]nn? stacked in an AA… fashion separated by a layer of Na+ cations. Both phases are derivates of the M1+M3+P2Q6 family.The optical band gaps of α-NaSbP2S6 and β-NaSbP2S6 were determined by UV–vis diffuse reflectance measurements to be 2.17 and 2.25 eV, respectively. |
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