Information card for entry 4338677

Structure parameters

• Common name: 3816
• Chemical name: sodium calcium niobium iron arsenide
• Formula: As6 Ca2.56 Fe7.49 Na0.44 Nb0.51
• Calculated formula: As6 Ca2.5556 Fe7.4921 Na0.44 Nb0.51
• Title of publication: Framework structures of interconnected layers in calcium iron arsenides.
• Authors of publication: Stürzer, Tobias; Hieke, Christine; Löhnert, Catrin; Nitsche, Fabian; Stahl, Juliane; Maak, Christian; Pobel, Roman; Johrendt, Dirk
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 12
• Pages of publication: 6235 - 6240
• a: 11.3307 ± 0.0009 Å
• b: 3.8078 ± 0.0003 Å
• c: 13.6298 ± 0.0011 Å
• α: 90°
• β: 106.154 ± 0.003°
• γ: 90°
• Cell volume: 564.84 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.1336
• Residual factor for significantly intense reflections: 0.0813
• Weighted residual factors for significantly intense reflections: 0.1783
• Weighted residual factors for all reflections included in the refinement: 0.1971
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No