Information card for entry 1560546

Structure parameters

• Formula: Al Ca3 Na3 P4
• Calculated formula: Al Ca3 Na3 P4
• SMILES: [Al]([P-2])([P-2])([P-2])[P-2].[Ca+2].[Ca+2].[Na+].[Ca+2].[Na+].[Na+]
• Title of publication: Synthesis and structural characterization of the Zintl phases Na3Ca3TrPn4, Na3Sr3TrPn4, and Na3Eu3TrPn4 (Tr=Al, Ga, In; Pn=P, As, Sb)
• Authors of publication: Wang, Yi; Suen, Nian-Tzu; Kunene, Thabiso; Stoyko, Stanislav; Bobev, Svilen
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2017
• Journal volume: 249
• Pages of publication: 160 - 168
• a: 9.1655 ± 0.0009 Å
• b: 9.1655 ± 0.0009 Å
• c: 7.0266 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 511.2 ± 0.12 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 186
• Hermann-Mauguin space group symbol: P 63 m c
• Hall space group symbol: P 6c -2c
• Residual factor for all reflections: 0.0575
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.0827
• Weighted residual factors for all reflections included in the refinement: 0.0882
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No