Information card for entry 7718270

Structure parameters

• Formula: Ca0.44 Ga1.33 Na0.44 S2.67
• Calculated formula: Ca0.444444 Ga1.33333 Na0.444444 S2.66667
• Title of publication: NaCaGa₃S₆: a mixed alkali metal and alkaline earth metal sulfide with a distinctive [Ga₅S₁₀]_∞ layered framework.
• Authors of publication: Chen, Jiale; Zhou, Haipeng; Sha, Huimin; Liu, Jinfeng; Zhu, Xiu; Xu, Guisheng; Wang, Jiankang
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 13
• Pages of publication: 5526 - 5531
• a: 6.9613 ± 0.0005 Å
• b: 14.6439 ± 0.0009 Å
• c: 20.1221 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2051.3 ± 0.2 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0278
• Residual factor for significantly intense reflections: 0.0212
• Weighted residual factors for significantly intense reflections: 0.0387
• Weighted residual factors for all reflections included in the refinement: 0.0468
• Goodness-of-fit parameter for all reflections included in the refinement: 1.142
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No