Alstonite

Abstract: This paper reports the results obtained for the determination of Ba concentrations in mineral groundwater samples collected from drilled outlets located in the counties of Covasna and Harghita (34 sampling points), in five expeditions (spring, summer, and autumn), during 3 years: 2005, 2006, and 2007. The experimental data show that there are some sampling sites in which the barium concentration exceeds 1 mg/L, which is the maximum concentration admitted for barium. These mineral natural waters could be used only for therapeutic purposes. All other analyzed natural mineral waters are proper as both drinking and therapeutic water. By means of a principal component analysis a statistical approach was performed, using the data obtained during those analyzing processes. The distribution of the water saturation indexes with respect to a series of mineral species (alstonite, barite, barytocalcite, nitrobarite, sanbornite, and witherite) suggests that barium tends to remain in solution as ionic species in different concentrations and to be further carried away as such.

Abstract: A new polymorph of the double carbonate BaCa(CO3)2, `a C2 phase', has been synthesized. Its structure has been obtained by density-functional-theory-based (DFT-based) model calculations and has been refined by Rietveld analysis of X-ray powder diffraction data. The structure of the new polymorph differs significantly from those of the established polymorphs barytocalcite, paralstonite and alstonite. The unit-cell parameters of the new monoclinic (space group C2) compound are a = 6.6775 (5), b = 5.0982 (4), c = 4.1924 (3) A, β = 109.259 (1)°. The new compound has been further characterized using Raman spectroscopy. This work shows that earlier studies have misidentified the products of an established synthesis route and that findings based on the incorrect identification of the synthesis product concerning the suitability of barytocalcite as a matrix for the retention of radioactive isotopes will need to be reconsidered.