Information card for entry 4519032

Structure parameters

• Common name: barium tantalum oxynitride
• Chemical name: barium tantalum dioxide nitride
• Formula: Ba N0.58 O2.42 Ta
• Calculated formula: Ba N0.57525 O2.40096 Ta
• Title of publication: Time-Retrenched Synthesis of BaTaO2N by Localizing an NH3 Delivery System for Visible-Light-Driven Photoelectrochemical Water Oxidation at Neutral pH: Solid-State Reaction or Flux Method?
• Authors of publication: Hojamberdiev, Mirabbos; Mora-Hernandez, J. Manuel; Vargas, Ronald; Yamakata, Akira; Yubuta, Kunio; Heppke, Eva Maria; Torres-Martínez, Leticia M.; Teshima, Katsuya; Lerch, Martin
• Journal of publication: ACS Applied Energy Materials
• Year of publication: 2021
• Journal volume: 4
• Journal issue: 9
• Pages of publication: 9315 - 9327
• a: 4.11158 ± 0.00006 Å
• b: 4.11158 ± 0.00006 Å
• c: 4.11158 ± 0.00006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 69.5066 ± 0.0018 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• Space group number: 221
• Hermann-Mauguin space group symbol: P m -3 m
• Hall space group symbol: -P 4 2 3
• Weighted residual factors for all reflections: 0.0248
• Residual factor R(I) for significantly intense reflections: 0.014299
• Goodness-of-fit parameter for all reflections: 1.57
• Method of determination: powder diffraction
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.5406 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No