Information card for entry 1540677

Structure parameters

• Common name: I2@SL-1
• Chemical name: Iodine silicalite-1
• Formula: I24 O192 Si96
• Calculated formula: I23.9872 O192 Si96
• Title of publication: Capture of iodine and organic iodides using silica zeolites and the semiconductor behaviour of iodine in a silica zeolite
• Authors of publication: Pham, Tung Cao Thanh; Docao, Son; Hwang, In Chul; Song, Mee Kyung; Choi, Do Young; Moon, Dohyun; Oleynikov, Peter; Yoon, Kyung Byung
• Journal of publication: Energy Environ. Sci.
• Year of publication: 2016
• Journal volume: 9
• Journal issue: 3
• Pages of publication: 1050
• a: 20.1 ± 0.004 Å
• b: 19.912 ± 0.004 Å
• c: 13.386 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5357.5 ± 1.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0926
• Residual factor for significantly intense reflections: 0.0616
• Weighted residual factors for significantly intense reflections: 0.1559
• Weighted residual factors for all reflections included in the refinement: 0.1716
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.67 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No