Information card for entry 2100249

Structure parameters

• Formula: Ca Cu Ge2 O6
• Calculated formula: Ca Cu Ge2 O6
• Title of publication: Structure of the clinopyroxene-type compound CaCuGe~2~O~6~ between 15 and 800K
• Authors of publication: Redhammer, G. J.; Tippelt, G.; Merz, M.; Roth, G.; Treutmann, W.; Amthauer, G.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 4
• Pages of publication: 367 - 380
• a: 10.1944 ± 0.0012 Å
• b: 9.2078 ± 0.0007 Å
• c: 5.2103 ± 0.0006 Å
• α: 90°
• β: 105.699 ± 0.012°
• γ: 90°
• Cell volume: 470.84 ± 0.09 ų
• Cell temperature: 328 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for all reflections included in the refinement: 0.0637
• Goodness-of-fit parameter for all reflections included in the refinement: 1.163
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No