Information card for entry 1563562

Structure parameters

• Formula: B2 Fe2 K2 O7
• Calculated formula: B2 Fe2 K2 O7
• Title of publication: K2Fe2B2O7: A transparent nonlinear optical crystal with frustrated magnetism
• Authors of publication: Wang, Yonggang; Li, R.K.
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2010
• Journal volume: 183
• Journal issue: 6
• Pages of publication: 1221 - 1225
• a: 8.7475 ± 0.0012 Å
• b: 8.7475 ± 0.0012 Å
• c: 8.5124 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 564.09 ± 0.16 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 4
• Space group number: 150
• Hermann-Mauguin space group symbol: P 3 2 1
• Hall space group symbol: P 3 2"
• Residual factor for all reflections: 0.0282
• Residual factor for significantly intense reflections: 0.024
• Weighted residual factors for significantly intense reflections: 0.0523
• Weighted residual factors for all reflections included in the refinement: 0.054
• Goodness-of-fit parameter for all reflections included in the refinement: 0.984
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No