Information card for entry 1565850

Structure parameters

• Common name: blue vitriol
• Chemical name: copper(II) sulfate pentahydrate
• Formula: Cu H10 O9 S
• Calculated formula: Cu H10 O9 S
• Title of publication: Use of a miniature diamond-anvil cell in a joint X-ray and neutron high-pressure study on copper sulfate pentahydrate
• Authors of publication: Novelli, Giulia; Kamenev, Konstantin V.; Maynard-Casely, Helen E.; Parsons, Simon; McIntyre, Garry J.
• Journal of publication: IUCrJ
• Year of publication: 2022
• Journal volume: 9
• Journal issue: 1
• Pages of publication: 73 - 85
• a: 5.9523 ± 0.0012 Å
• b: 6.1001 ± 0.0013 Å
• c: 10.647 ± 0.0007 Å
• α: 77.308 ± 0.01°
• β: 82.353 ± 0.01°
• γ: 72.64 ± 0.01°
• Cell volume: 359.02 ± 0.11 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Ambient diffracton pressure: 0.71 kPa
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Weighted residual factors for all reflections included in the refinement: 0.1651
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9999
• Diffraction radiation probe: neutron
• Diffraction radiation wavelength: 0.78 Å
• Diffraction radiation type: neutron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No