Information card for entry 1506843

Structure parameters

• Common name: MIL-74 (Na2Al7)
• Formula: C24 H116 Al7 N16 Na3 O64 P12
• Calculated formula: C24 Al7.02 N16 Na2.98 O64 P12
• Title of publication: Incorporation of Lithium and Sodium in MIL-74 Super-Sodalites: A2M7(PO4)12·4tren·A(H2O)16(with A = Li or Na and M = Al or Ga)
• Authors of publication: Loiseau, Thierry; Beitone, Lionel; Huguenard, Clarisse; Taulelle, Francis; Henry, Marc; Férey, Gérard
• Journal of publication: The Journal of Physical Chemistry B
• Year of publication: 2004
• Journal volume: 108
• Journal issue: 52
• Pages of publication: 20011
• a: 16.7444 ± 0.0001 Å
• b: 16.7444 ± 0.0001 Å
• c: 16.7444 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4694.71 ± 0.05 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 217
• Hermann-Mauguin space group symbol: I -4 3 m
• Hall space group symbol: I -4 2 3
• Residual factor for all reflections: 0.0536
• Residual factor for significantly intense reflections: 0.0521
• Weighted residual factors for significantly intense reflections: 0.1483
• Weighted residual factors for all reflections included in the refinement: 0.1503
• Goodness-of-fit parameter for all reflections included in the refinement: 1.165
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No