Information card for entry 4106492

Structure parameters

• Common name: Barium oxonitridophosphate chloride
• Chemical name: Barium oxonitridophosphate chloride
• Formula: Ba19 Cl12.54 N61.46 O10.54 P36
• Calculated formula: Ba19 Cl12.536 N61.488 O10.512 P36
• Title of publication: Unprecedented Zeolite-Like Framework Topology Constructed from Cages with 3-Rings in a Barium Oxonitridophosphate
• Authors of publication: Stefan J. Sedlmaier; Markus Döblinger; Oliver Oeckler; Johannes Weber; Jörn Schmedt auf der Günne; Wolfgang Schnick
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 12069 - 12078
• a: 26.8541 ± 0.0003 Å
• b: 26.8541 ± 0.0003 Å
• c: 26.8541 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 19365.6 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 226
• Hermann-Mauguin space group symbol: F m -3 c
• Hall space group symbol: -F 4a 2 3
• RFsqd: 0.077
• Goodness-of-fit parameter for all reflections: 5.172
• Method of determination: powder diffraction
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.39998 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No