Information card for entry 7040681

Structure parameters

• Formula: As0.96 Fe2.72 Te2
• Calculated formula: As0.96 Fe2.72 Te2
• Title of publication: New Fe-based layered telluride Fe3-δAs1-yTe2: synthesis, crystal structure and physical properties.
• Authors of publication: Verchenko, Valeriy Yu; Sokolov, Sergei S.; Tsirlin, Alexander A.; Sobolev, Alexey V.; Presniakov, Igor A.; Bykov, Mikhail A.; Kirsanova, Maria A.; Shevelkov, Andrei V.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 42
• Pages of publication: 16938 - 16947
• a: 3.85091 ± 0.00009 Å
• b: 3.85091 ± 0.00009 Å
• c: 17.1367 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 220.082 ± 0.009 ų
• Cell temperature: 300 K
• Ambient diffraction temperature: 300 K
• Number of distinct elements: 3
• Space group number: 194
• Hermann-Mauguin space group symbol: P 63/m m c
• Hall space group symbol: -P 6c 2c
• Residual factor for all reflections: 0.0599
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for all reflections: 0.0604
• Weighted residual factors for significantly intense reflections: 0.0599
• Goodness-of-fit parameter for all reflections: 1.44
• Method of determination: powder diffraction
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.5406 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No