Information card for entry 1560547

Structure parameters

• Formula: Ca3 Ga Na3 P4
• Calculated formula: Ca3 Ga Na3 P4
• SMILES: [Ga]([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: 9.174 ± 0.002 Å
• b: 9.174 ± 0.002 Å
• c: 7.035 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 512.8 ± 0.3 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: 0.0738
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.0838
• Weighted residual factors for all reflections included in the refinement: 0.0905
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No