Information card for entry 1556759

Structure parameters

• Formula: Ni Se5 Ta2
• Calculated formula: Ni Se5 Ta2
• Title of publication: Pressure-induced coherent sliding-layer transition in the excitonic insulator Ta₂NiSe₅.
• Authors of publication: Nakano, Akitoshi; Sugawara, Kento; Tamura, Shinya; Katayama, Naoyuki; Matsubayashi, Kazuyuki; Okada, Taku; Uwatoko, Yoshiya; Munakata, Kouji; Nakao, Akiko; Sagayama, Hajime; Kumai, Reiji; Sugimoto, Kunihisa; Maejima, Naoyuki; Machida, Akihiko; Watanuki, Tetsu; Sawa, Hiroshi
• Journal of publication: IUCrJ
• Year of publication: 2018
• Journal volume: 5
• Journal issue: Pt 2
• Pages of publication: 158 - 165
• a: 3.437 ± 0.001 Å
• b: 5.849 ± 0.011 Å
• c: 15.512 ± 0.001 Å
• α: 90°
• β: 90.53 ± 0.01°
• γ: 90°
• Cell volume: 311.8 ± 0.6 ų
• Cell temperature: 50 ± 2 K
• Ambient diffraction temperature: 50 ± 2 K
• Number of distinct elements: 3
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.0557
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.1122
• Weighted residual factors for all reflections included in the refinement: 0.1143
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.413 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No