Information card for entry 7228884

Structure parameters

• Common name: PST-5
• Chemical name: aluminophosphate
• Formula: C26.72 N6.68 O77.45 Si36
• Calculated formula: C26.72 N6.68 O77.4458 Si36
• Title of publication: Three-dimensional crystal structure of novel aluminophosphate PST-5 solved using a powder charge flipping method
• Authors of publication: Chang, Shuai; Jang, Hoi-Gu; Lee, Kwan-Young; Cho, Sung June
• Journal of publication: RSC Adv.
• Year of publication: 2017
• Journal volume: 7
• Journal issue: 61
• Pages of publication: 38631
• a: 10.2796 ± 0.0007 Å
• b: 36.643 ± 0.003 Å
• c: 10.8918 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4102.7 ± 0.5 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• Space group number: 59
• Hermann-Mauguin space group symbol: P m m n :2
• Hall space group symbol: -P 2ab 2a
• Residual factor for all reflections: 0.0981
• Residual factor for significantly intense reflections: 0.0981
• Weighted residual factors for all reflections: 0.134
• Weighted residual factors for significantly intense reflections: 0.134
• Goodness-of-fit parameter for all reflections: 5.12
• Method of determination: powder diffraction
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.4862 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No