Information card for entry 8000501

Structure parameters

• Common name: TON_BNHx
• Formula: C0.28 N1.68 O24 Si12
• Calculated formula: C0.28 N1.68 O24 Si12
• Title of publication: Anomalous Volume Changes in the Siliceous Zeolite Theta-1 TON due to Hydrogen Insertion under High-Pressure, High-Temperature Conditions.
• Authors of publication: Paliwoda, Damian; Comboni, Davide; Poręba, Tomasz; Hanfland, Michael; Alabarse, Frederico; Maurin, David; Michel, Thierry; Demirci, Umit B.; Rouquette, Jérôme; di Renzo, Francesco; van der Lee, Arie; Bernard, Samuel; Haines, Julien
• Journal of publication: The journal of physical chemistry letters
• Year of publication: 2021
• Journal volume: 12
• Journal issue: 21
• Pages of publication: 5059 - 5063
• a: 13.826 ± 0.002 Å
• b: 17.372 ± 0.005 Å
• c: 5.0259 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1207.1 ± 0.5 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• Space group number: 36
• Hermann-Mauguin space group symbol: C m c 21
• Hall space group symbol: C 2c -2
• Residual factor R(I) for significantly intense reflections: 2.7412
• Method of determination: powder diffraction
• Diffraction radiation wavelength: 0.4957 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No