Boron isotope fractionation during brucite deposition from artificial seawater J. Xiao, Y. K. Xiao, C. Q. Liu, and Z. D. Jin State Key Laboratory of Loess and Quaternary Geology, Institute of Earth Environment, Chinese Academy of Sciences, Xi’an, 710075, China Qinghai Institute of Salk Lakes, Chinese Academy of Sciences, Xining, Qinghai, 810008, China State Key Laboratory of Environmental Geoch...

In an attempt to synthesize new cobalt(II) sulfate framework structures using 1,4-diaza-bicyclo-[2.2.2]octane as a template, crystals of poly[0.35-[hexa-aqua-cobalt(II)] [tri-μ-hydroxido-μ-sulfato-dicobalt(II)]], {[Co(H(2)O)(6)](0.35)[Co(2)(OH)(3)(SO(4))]}(n), were obtained as a mixture with [Co(H(2)O)(6)]SO(4) crystals. The crystal structure can be described as being constructed from discrete ...

Tile crystal structures of sjogrenite and pyroaurite, two stacking modifications of approximate composition Mg.Fe.(OH),.(CO.).4H.O, have been determined by X-ray diffraction using three-dimensional methods. Sjogrenite is hexagonal, with a 3,13, C 15.66 A, space group P6.!mmc, Z = !; pyroaurite is rhombohedral, with aH 3,13, CH 23.49 A, space group R3m or R3m, Z = i. Both structures are based on...

We introduce a nonbonded three-body harmonic potential energy term for Mg-O-H interactions for improved edge surface stability in molecular simulations. The new potential term is compatible with the Clayff force field and is applied here to brucite, a layered magnesium hydroxide mineral. Comparisons of normal mode frequencies from classical and density functional theory calculations are used to...