Information card for entry 1561360

Structure parameters

• Common name: lanthanum gallium sulfide (3/1.67/7)
• Chemical name: lanthanum gallium sulfide (3/1.67/7)
• Formula: Ga1.67 La3 S7
• Calculated formula: Ga1.667 La3 S7
• Title of publication: Metal ion displacements in noncentrosymmetric chalcogenides La3Ga1.67S7, La3Ag0.6GaCh7 (Ch=S, Se), and La3MGaSe7 (M=Zn, Cd)
• Authors of publication: Iyer, Abishek K.; Yin, Wenlong; Rudyk, Brent W.; Lin, Xinsong; Nilges, Tom; Mar, Arthur
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2016
• Journal volume: 243
• Pages of publication: 221 - 231
• a: 10.1772 ± 0.0008 Å
• b: 10.1772 ± 0.0008 Å
• c: 6.0648 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 544.01 ± 0.08 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 173
• Hermann-Mauguin space group symbol: P 63
• Hall space group symbol: P 6c
• Residual factor for all reflections: 0.022
• Residual factor for significantly intense reflections: 0.0204
• Weighted residual factors for significantly intense reflections: 0.0441
• Weighted residual factors for all reflections included in the refinement: 0.0448
• Goodness-of-fit parameter for all reflections included in the refinement: 1.124
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No