Information card for entry 7718942

Structure parameters

• Formula: Hg2 P2 S8 Zn
• Calculated formula: Hg2 P2 S8 Zn
• Title of publication: Partial congener substitution induced wide band gap witnessed in diamond-like chalcogenide ZnHg₂P₂S₈ and its second-order nonlinear optical properties.
• Authors of publication: Tang, Chunlan; Yao, Aoge; Xing, Wenhao; Tang, Jian; Kang, Lei; Yin, Wenlong; Wu, Jieyun; Kang, Bin
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 28
• Pages of publication: 10956 - 10960
• a: 16.3443 ± 0.0012 Å
• b: 8.0439 ± 0.0006 Å
• c: 9.1596 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1204.23 ± 0.16 ų
• Cell temperature: 297.82 ± 0.18 K
• Ambient diffraction temperature: 297.82 ± 0.18 K
• Number of distinct elements: 4
• Space group number: 41
• Hermann-Mauguin space group symbol: A e a 2
• Hall space group symbol: A 2 -2ab
• Residual factor for all reflections: 0.028
• Residual factor for significantly intense reflections: 0.0261
• Weighted residual factors for significantly intense reflections: 0.0649
• Weighted residual factors for all reflections included in the refinement: 0.0657
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No