Information card for entry 2109099

Structure parameters

• Common name: aluminophosphate oxocuprate
• Chemical name: sodium alumonophosphate oxocuprate chloride
• Formula: Al8 Cl7 Cu24 Li4.19 Na19.81 O105 P24
• Calculated formula: Al8 Cl7 Cu24 Li4.192 Na19.808 O105.004 P24
• Title of publication: (Na,Li)~3~(Cl,OH)[Cu~3~OAl(PO~4~)~3~]: a first salt-inclusion aluminophosphate oxocuprate with a new type of crystal structure
• Authors of publication: Yakubovich, Olga V.; Kiriukhina, Galina V.; Simonov, Sergey V.; Volkov, Anatoly S.; Dimitrova, Olga V.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2023
• Journal volume: 79
• Journal issue: 1
• Pages of publication: 24 - 31
• a: 13.3428 ± 0.0004 Å
• b: 18.932 ± 0.0005 Å
• c: 8.9404 ± 0.0002 Å
• α: 90°
• β: 90.361 ± 0.002°
• γ: 90°
• Cell volume: 2258.35 ± 0.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 423 ± 2 K
• Number of distinct elements: 7
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0405
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.1089
• Weighted residual factors for all reflections included in the refinement: 0.1097
• 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: Yes