Information card for entry 7719263

Structure parameters

• Formula: Ba3 Se7 Sn2
• Calculated formula: Ba2.9999 Se7 Sn2
• Title of publication: Two ternary chalcostannates Ba₃Sn₂<i>Q</i>₇ (<i>Q</i> = S and Se): syntheses, crystal structures, and photovoltaic studies.
• Authors of publication: Swati, ?; Ray, Akshay K.; Yadav, Sweta; Ramesh, Mamindla; Barman, Sayani; Deepa, Melepurath; Niranjan, Manish K.; Prakash, Jai
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 34
• Pages of publication: 12890 - 12901
• a: 11.4565 ± 0.0006 Å
• b: 6.9334 ± 0.0004 Å
• c: 19.5875 ± 0.0011 Å
• α: 90°
• β: 101.159 ± 0.002°
• γ: 90°
• Cell volume: 1526.47 ± 0.15 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0548
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.0508
• Weighted residual factors for all reflections included in the refinement: 0.0574
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No