New insight into the pectolite – serandite series: a single crystal diffraction study of Na(Ca1.73Mn0.27)[HSi3O9] at 293 and 100 K
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Alla Arakcheeva
Using synchrotron radiation, a single crystal investigation has been performed at 293 and 100 K for the structural characterization of the manganoan pectolite, Na(Ca1.73Mn0.27)[Si3O8(OH)] (from the pegmatite at Mt. Koashva, Khibiny alkaline massif, Kola peninsula, Russia). The data obtained are compared with other members of the pectolite – serandite, Na(Ca2–xMnx)[Si3O8(OH)], series. The strong asymmetric hydrogen bond observed in the other members of the series has been confirmed at 293 K (O3–O4 = 2.473(3) Å; H–O3 = 0.97(4) Å, H … O4 = 1.50(4) Å ; O3–H … O4 = 178(4)°). This bond exhibits strengthening (O3–O4 = 2.458(2) Å) and becomes more symmetric at 100 K (H–O3 = 1.06(4) Å, H … O4 = 1.40(4) Å, O3–H … O4 177(4)°). The data obtained for 293 K confirm the previously hinted tendency: the higher the content of Mn, the more asymmetric the H-bond. The influence of the asymmetric position of the H-bond on the environment close to the bonded O3 and O4 atoms and the H–Na interaction are discussed. The alternative topological role of the hydrogen bond is considered in comparison to a similar structure Li2Mg2 [Si4O11].
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Artikel in diesem Heft
- About the variable-counting-time techniques in powder diffraction data: their use in EXPO2004
- Crystal structure of a vivianite-type mineral: Mg-rich erythrite, (Co2.16Ni0.24Mg0.60)(AsO4)2 · 8 H2O
- Temperature-dependent X-ray and neutron diffraction study of BiB3O6
- Structural studies on a stuffed framework high pressure polymorph of CaAl2O4
- New insight into the pectolite – serandite series: a single crystal diffraction study of Na(Ca1.73Mn0.27)[HSi3O9] at 293 and 100 K
- Crystal and molecular structures of 4-substituted 3,4-dihydropyrimidin-2(1H)-ones studied by X-ray and AM1 and B3LYP calculations
- The crystal structure of Pigment Yellow 181 from laboratory powder diffraction data
- BRIZ: a vizualization program for Brillouin zone – Fermi sphere configuration
