Information card for entry 2022679

Structure parameters

• Chemical name: Diiridium trisulfide
• Formula: Ir2 S3
• Calculated formula: Ir2 S3
• Title of publication: Single-crystal structure refinements and Debye temperatures of Ir2S3 kashinite and Rh2S3 bowieite
• Authors of publication: Yoshiasa, Akira; Kitahara, Ginga; Tokuda, Makoto; Ishimaru, Satoko; Ono, Shin-ichiro; Terai, Kunihisa; Nakatsuka, Akihiko; Sugiyama, Kazumasa
• Journal of publication: Acta Crystallographica Section C Structural Chemistry
• Year of publication: 2022
• Journal volume: 78
• Journal issue: 11
• a: 8.4728 ± 0.0003 Å
• b: 6.01563 ± 0.00018 Å
• c: 6.1537 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 313.649 ± 0.018 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 2
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0327
• Residual factor for significantly intense reflections: 0.0174
• Weighted residual factors for significantly intense reflections: 0.0293
• Weighted residual factors for all reflections included in the refinement: 0.0318
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes