Information card for entry 1562625

Structure parameters

• Chemical name: disodium calcium dicopper octasilicate monohydrate
• Formula: Ca Cu2 H2 Na2 O21 Si8
• Calculated formula: Ca Cu2 H2 Na2 O21 Si8
• Title of publication: A new naturally-occurring nanoporous copper sheet‒silicate with 6482 cages related to synthetic “CuSH” phases
• Authors of publication: Welch, Mark D.; Rumsey, Michael S.
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2013
• Journal volume: 203
• Pages of publication: 260 - 265
• a: 12.2439 ± 0.0006 Å
• b: 15.7514 ± 0.0004 Å
• c: 10.6008 ± 0.0003 Å
• α: 90°
• β: 125.623 ± 0.002°
• γ: 90°
• Cell volume: 1661.87 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.033
• Residual factor for significantly intense reflections: 0.0272
• Weighted residual factors for significantly intense reflections: 0.0687
• Weighted residual factors for all reflections included in the refinement: 0.0711
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes