Mineralogical Magazine · 2012 · 20 citations · 29 references
Natural SciencesChemistryEarth SciencesCrystal StructureGeochemistryInorganic ChemistryAluminum OxidesCrystal ChemistryCrystallographyOxide MineralogyOxide MineralsX-ray CrystallographyAlkaline Earth Metal ChemistryCrystal Structure RefinementIsomorphic SubstitutionSilicate ChemistrySilicate Mineral ChemistrySingle-crystal X-ray DiffractionType Locality Analysis
Abstract New electron-microprobe analyses of mayenite from the Ettringer Bellerberg volcano near Mayen in the Eifel district, Germany have high Cl contents and Raman spectroscopy indicates the presence of OH groups. Neither of these components is included in the generally accepted chemical formula, Ca 12 Al 14 O 33 . A refinement of the crystal structure by single-crystal X-ray methods reveals a previously unrecognized partial substitution. The O2 site which forms one of the apices of an AlO 4 tetrahedron (with 3 × O1 sites) is replaced by 3 × O2a sites, which change the coordination of the central Al atom from tetrahedral to octahedral. This substitution is related to partial hydration of Ca 12 Al 14 O 32 Cl 2 according to the isomorphic scheme (O 2– + C l– ) ↔ 3(OH) – . The revised composition of Eifel mayenite is best described by the formula Ca 12 Al 14 O 32–x Cl 2–x (OH) 3x (x ∼0.75); the original formula, Ca 12 Al 14 O 33 , is inadequate. The analysed mineral can be considered to consist of endmember Ca12Al14O32Cl2 (62.5 mol.%) and endmember Ca 12 Al 14 O 30 (OH) 6 (37.5 mol.%).
29
A short history of<i>SHELX</i>
George M. Sheldrick · Acta Crystallographica Section A Foundations of Crystallography · 2007 · 87.4K citations · Full text
Satoru Matsuishi, Yoshitake Toda, Masashi Miyakawa et al. · Science · 2003 · 856 citations
H. Boysen, Martin Lerch, A. Stys et al. · Acta Crystallographica Section B Structural Science · 2007 · 140 citations