Information card for entry 4001778

Structure parameters

• Formula: K1.316 Mg0.658 S4 Sn1.342
• Calculated formula: K1.32 Mg0.66 S4 Sn1.34
• Title of publication: Selective Removal of Cs+, Sr2+, and Ni2+by K2xMgxSn3‒xS6(x= 0.5‒1) (KMS-2) Relevant to Nuclear Waste Remediation
• Authors of publication: Mertz, Joshua L.; Fard, Zohreh Hassanzadeh; Malliakas, Christos D.; Manos, Manolis J.; Kanatzidis, Mercouri G.
• Journal of publication: Chemistry of Materials
• Year of publication: 2013
• Journal volume: 25
• Journal issue: 10
• Pages of publication: 2116
• a: 3.6749 ± 0.0004 Å
• b: 3.6749 ± 0.0004 Å
• c: 16.827 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 196.8 ± 0.06 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• Space group number: 194
• Hermann-Mauguin space group symbol: P 63/m m c
• Hall space group symbol: -P 6c 2c
• Residual factor for all reflections: 0.0557
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.1198
• Weighted residual factors for all reflections included in the refinement: 0.123
• Goodness-of-fit parameter for significantly intense reflections: 2.51
• Goodness-of-fit parameter for all reflections included in the refinement: 2.4
• Diffraction radiation wavelength: 0.4428 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No