Information card for entry 7718525

Structure parameters

• Formula: Ba4 Hg P2 Se10
• Calculated formula: Ba4 Hg P2 Se10
• Title of publication: Design of a high-performance infrared birefringent crystal Ba₄HgP₂Se₁₀<i>via</i> a low-dimensional motif intercalation strategy.
• Authors of publication: Xiong, Zhihui; Tian, Haotian; Li, Zhixi; Deng, Guowei; Ding, Fang; Wu, Qian; Xia, Mingjun
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 20
• Pages of publication: 8152 - 8158
• a: 6.6236 ± 0.0003 Å
• b: 6.9578 ± 0.0003 Å
• c: 12.013 ± 0.0005 Å
• α: 85.307 ± 0.004°
• β: 75.875 ± 0.003°
• γ: 69.438 ± 0.004°
• Cell volume: 502.68 ± 0.04 ų
• Cell temperature: 299.7 ± 0.8 K
• Ambient diffraction temperature: 299.7 ± 0.8 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0381
• Residual factor for significantly intense reflections: 0.0298
• Weighted residual factors for significantly intense reflections: 0.0662
• Weighted residual factors for all reflections included in the refinement: 0.0689
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No