Information card for entry 2312092

Structure parameters

• Formula: Cl H2 K O
• Calculated formula: Cl K O
• Title of publication: Crystal structure of potassium chloride monohydrate: water intercalation into the B1 structure of KCl under high pressure.
• Authors of publication: Yamashita, Keishiro; Komatsu, Kazuki; Kagi, Hiroyuki
• Journal of publication: Acta crystallographica. Section C, Structural chemistry
• Year of publication: 2022
• Journal volume: 78
• Journal issue: Pt 12
• Pages of publication: 749 - 754
• a: 5.687 ± 0.007 Å
• b: 6.3969 ± 0.0009 Å
• c: 8.447 ± 0.003 Å
• α: 90°
• β: 107.08 ± 0.08°
• γ: 90°
• Cell volume: 293.7 ± 0.4 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 300 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.061
• Residual factor for significantly intense reflections: 0.061
• Weighted residual factors for all reflections included in the refinement: 0.1984
• Goodness-of-fit parameter for all reflections included in the refinement: 1.797
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes