Information card for entry 7246705

Structure parameters

• Formula: B2 Na3 O6 Pr
• Calculated formula: B2 Na3 O6 Pr
• Title of publication: Growth and characterization of Na3R(BO3)2 (R = La–Gd) borates: crystal structure, high-temperature behavior, and optical properties
• Authors of publication: Kuznetsov, Artem B.; Jamous, Ammar Y.; Svetlichnyi, Valery A.; Volkov, Sergey N.; Korolkov, Ilya V.; Kokh, Konstantin A.; Gorelova, Liudmila A.; Krzhizhanovskaya, Maria G.; Aksenov, Sergey M.; Kokh, Alexander E.
• Journal of publication: CrystEngComm
• Year of publication: 2023
• Journal volume: 25
• Journal issue: 19
• Pages of publication: 2914 - 2924
• a: 6.6336 ± 0.0001 Å
• b: 8.8279 ± 0.0001 Å
• c: 10.2569 ± 0.0002 Å
• α: 90°
• β: 90.9385 ± 0.0012°
• γ: 90°
• Cell volume: 600.571 ± 0.016 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 296.68 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: 0.0196
• Residual factor for significantly intense reflections: 0.0182
• Weighted residual factors for significantly intense reflections: 0.0257
• Weighted residual factors for all reflections included in the refinement: 0.0261
• Goodness-of-fit parameter for significantly intense reflections: 1.7
• Goodness-of-fit parameter for all reflections included in the refinement: 1.68
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No