Information card for entry 4001772

Structure parameters

• Formula: Al6 Ca4 O16 S
• Calculated formula: Al6 Ca4 O16 S
• Title of publication: Structure, Atomistic Simulations, and Phase Transition of Stoichiometric Yeelimite
• Authors of publication: Cuesta, Ana; De la Torre, Angeles G.; Losilla, Enrique R.; Peterson, Vanessa K.; Rejmak, Pawel; Ayuela, Andrés; Frontera, Carlos; Aranda, Miguel A. G.
• Journal of publication: Chemistry of Materials
• Year of publication: 2013
• Journal volume: 25
• Journal issue: 9
• Pages of publication: 1680
• a: 13.0357 ± 0.0007 Å
• b: 13.035 ± 0.0007 Å
• c: 9.16771 ± 0.00019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1557.78 ± 0.12 ų
• Cell temperature: 298 K
• Number of distinct elements: 4
• Space group number: 27
• Hermann-Mauguin space group symbol: P c c 2
• Hall space group symbol: P 2 -2c
• Method of determination: powder diffraction
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No