Information card for entry 4108343

Structure parameters

• Formula: K P Se6 Zr
• Calculated formula: K P Se6 Zr
• Title of publication: 1/\ιnfty[ZrPSe6-]: A Soluble Photoluminescent Inorganic Polymer and Strong Second Harmonic Generation Response of Its Alkali Salts
• Authors of publication: Santanu Banerjee; Christos D. Malliakas; Joon I. Jang; John B. Ketterson; Mercouri G. Kanatzidis
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 12270 - 12272
• a: 3.7079 ± 0.001 Å
• b: 15.074 ± 0.005 Å
• c: 18.491 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1033.5 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 26
• Hermann-Mauguin space group symbol: P m c 21
• Hall space group symbol: P 2c -2
• Residual factor for all reflections: 0.1885
• Residual factor for significantly intense reflections: 0.0644
• Weighted residual factors for significantly intense reflections: 0.122
• Weighted residual factors for all reflections included in the refinement: 0.1646
• Goodness-of-fit parameter for significantly intense reflections: 1.52
• Goodness-of-fit parameter for all reflections included in the refinement: 1.35
• Diffraction radiation wavelength: 0.40663 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No