The crystal structure of despujolsite [tricalcium manganese bis-(sulfate) hexahydroxide tri-hydrate], the Ca/Mn member of the fleischerite group, ideally Ca 3Mn 4+(SO 4) 2(OH) 6·3H 2O, was previously determined based on X-ray diffraction intensity data from photographs, without H-atom positions located [Gaudefroy et al. (1968). Bull. Soc. Fr. Minéral. Crystallogr. 91, 43-50]. The current study redetermines the structure of despujolsite from a natural specimen, with all H atoms located and with higher precision. The structure of despujolsite is characterized by layers of CaO8 polyhedra (m.. symmetry) inter-connected by Mn(OH) 6 octa-hedra (32. symmetry) and SO 4 tetra-hedra (3.. symmetry) along . The average Ca - O, Mn - O and S - O bond lengths are 2.489, 1.915, and 1.472 Å, respectively. There are two distinct hydrogen bonds that stabilize the structural set-up. This work represents the first description of hydrogen bonds in the fleischerite group of minerals.
|Original language||English (US)|
|Journal||Acta Crystallographica Section E: Structure Reports Online|
|State||Published - Sep 1 2011|
ASJC Scopus subject areas
- Materials Science(all)
- Condensed Matter Physics