Redetermination of despujolsite, Ca 3Mn 4+(SO 4) 2(OH) 6·3H 2O

Madison C. Barkley, Hexiong Yang, Stanley H. Evans, Robert T. Downs, Marcus J. Origlieri

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Abstract

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 [001]. 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 languageEnglish (US)
Pages (from-to)i47-i48
JournalActa Crystallographica Section E: Structure Reports Online
Volume67
Issue number9
DOIs
StatePublished - Sep 1 2011

ASJC Scopus subject areas

  • Chemistry(all)
  • Materials Science(all)
  • Condensed Matter Physics

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