Information card for entry 1577415

Structure parameters

• Common name: sodium gadolinium titanium oxysulfide
• Formula: Gd2 Na2 O4.463 S3.537 Ti2
• Calculated formula: Gd2 Na2 O4.46 S3.54 Ti2
• Title of publication: Design of active interlayer space in layered oxysulfide photocatalysts NaMTiO2.2S1.8(M = lanthanoid) for efficient visible light hydrogen evolution
• Authors of publication: Ishii, Yusuke; Hanafusa, Chisato; Suzuki, Hajime; Kato, Daichi; Tomita, Osamu; Nakada, Akinobu; Nozawa, Shunsuke; Saeki, Akinori; Abe, Ryu
• Journal of publication: Chemical Science
• Year of publication: 2026
• a: 3.84397 ± 0.00007 Å
• b: 3.84397 ± 0.00007 Å
• c: 15.1563 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 223.951 ± 0.011 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 129
• Hermann-Mauguin space group symbol: P 4/n m m :1
• Hall space group symbol: P 4ab 2ab -1ab
• Residual factor for all reflections: 0.0371
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for all reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.0347
• Goodness-of-fit parameter for all reflections: 1.34
• Method of determination: powder diffraction
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.41393 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No