Information card for entry 4338118

Structure parameters

• Chemical name: Barium Mercuric sulfide
• Formula: Ba2 Hg S5
• Calculated formula: Ba2 Hg S5
• SMILES: S([S-])[S-].[S-][Hg][S-].[Ba+2].[Ba+2]
• Title of publication: Ba2HgS5-A Molecular Trisulfide Salt with Dumbbell-like (HgS2)(2-) Ions.
• Authors of publication: Islam, Saiful M.; Im, Jino; Freeman, Arthur J.; Kanatzidis, Mercouri G.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 9
• Pages of publication: 4698 - 4704
• a: 12.19 ± 0.002 Å
• b: 8.6768 ± 0.0017 Å
• c: 8.3708 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 885.4 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.032
• Residual factor for significantly intense reflections: 0.0202
• Weighted residual factors for significantly intense reflections: 0.0266
• Weighted residual factors for all reflections included in the refinement: 0.0281
• Goodness-of-fit parameter for all reflections included in the refinement: 0.88
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No