Information card for entry 2103646

Structure parameters

• Formula: Cl4 Cs2 Hg
• Calculated formula: Cl4 Cs2 Hg
• Title of publication: Structural basis for the phase transitions of Cs~2~HgCl~4~
• Authors of publication: Bagautdinov, Bagautdin; Jobst, Andreas; Ludecke, Jens; van Smaalen, Sander
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 3
• Pages of publication: 231 - 236
• a: 9.7105 ± 0.0002 Å
• b: 7.4691 ± 0.0001 Å
• c: 26.8992 ± 0.0004 Å
• α: 90°
• β: 90.368 ± 0.001°
• γ: 90°
• Cell volume: 1950.92 ± 0.06 ų
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0767
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for all reflections included in the refinement: 0.057
• Goodness-of-fit parameter for significantly intense reflections: 1.27
• Goodness-of-fit parameter for all reflections included in the refinement: 1.49
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes