Journal: | Revista mexicana de física |
Database: | PERIÓDICA |
System number: | 000438853 |
ISSN: | 0035-001X |
Authors: | Delgado, G.E1 Rincón, C1 Marroquín, G2 |
Institutions: | 1Universidad de Los Andes, Facultad de Ciencias, Mérida. Venezuela 2Instituto Politécnico Nacional, Escuela Superior de Ingeniería Química e Industrias Extractivas, Ciudad de México. México |
Year: | 2019 |
Season: | Jul-Ago |
Volumen: | 65 |
Number: | 4 |
Country: | México |
Language: | Inglés |
Document type: | Artículo |
Approach: | Analítico, teórico |
English abstract | The crystal structure of the ordered vacancy compound (OVC) Cu3In5Te9 was analyzed using powder X-ray diffraction data. Several structural models were derived from the structure of the Cu-poor Cu-In-Se compound β-Cu0.39In1.2Se2 by permuting the cations in the available site positions. The refinement of the best model by the Rietveld method in the tetragonal space group P42c (N° 112), with unit cell parameters a = 6.1852(2) Å, c = 12.3633(9) Å, V = 472.98(4) Å3, led to Rp = 7.1 %, Rwp = 8.5 %, Rexp = 6.4 %, S = 1.3 for 162 independent reflections. This model has the following Wyckoff site atomic distribution: Cu1 in 2e (0,0,0); In1 in 2f (1/2,1/2,0), In2 in 2d (0,1/2,1/4); Cu2-In3 in 2b (1/2,0,1/4); in 2a (0,0,1/4); Te in 8n (x, y, z) |
Disciplines: | Física y astronomía |
Keyword: | Física de materia condensada, Semiconductores, Compuesto de vacantes ordenado, Estructura cristalina, Difracción de rayos X en polvo, Refinamiento de Rietveld |
Keyword: | Physics, Semiconductors, Ordered vacancy compound, Crystal structure, X-ray powder diffraction, Rietveld refinement |
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