Information card for entry 7720962

Structure parameters

• Formula: I12 Te24 W12
• Calculated formula: I12 Te24 W12
• Title of publication: Structural evolution during reversible halogen intercalation into WTe₂: commensurate-incommensurate WTe2I and multistage WTe₂Br_<i>x</i> (<i>x</i> = 0.5, 1.0 and 1.25).
• Authors of publication: Schmidt, Patrick; Romao, Carl P.; Meyer, Hans-Jürgen
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2026
• Journal volume: 55
• Journal issue: 21
• Pages of publication: 8228 - 8242
• a: 12.16939 ± 0.00012 Å
• b: 21.87989 ± 0.00017 Å
• c: 12.17257 ± 0.00013 Å
• α: 90°
• β: 117.635 ± 0.0014°
• γ: 90°
• Cell volume: 2871.38 ± 0.06 ų
• Cell temperature: 150 ± 0.11 K
• Ambient diffraction temperature: 150 ± 0.11 K
• Number of distinct elements: 3
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0433
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.0995
• Weighted residual factors for all reflections included in the refinement: 0.0999
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No