TY - JOUR
T1 - Redetermination of despujolsite, Ca 3Mn 4+(SO 4) 2(OH) 6·3H 2O
AU - Barkley, Madison C.
AU - Yang, Hexiong
AU - Evans, Stanley H.
AU - Downs, Robert T.
AU - Origlieri, Marcus J.
PY - 2011/9
Y1 - 2011/9
N2 - 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.
AB - 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.
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U2 - 10.1107/S1600536811030911
DO - 10.1107/S1600536811030911
M3 - Article
C2 - 22064218
AN - SCOPUS:80052663491
SN - 1600-5368
VL - 67
SP - i47-i48
JO - Acta Crystallographica Section E: Structure Reports Online
JF - Acta Crystallographica Section E: Structure Reports Online
IS - 9
ER -