The crystal chemistry of the amphiboles. III: Refinement of the crystal structure of a sub-silicic hastingsite

Three-dimensional counter-diffractometer data and a full-matrix least-squares method have been used to refine the crystal structure of a sub-silicic hastingsite in the space group C2/rn. The chemical composition of the amphibole is Na~.95K~.a~Cax.~4(Mg1.17Fe~+7Mn~.~4Ti~.39Fe~9A~.5~)Si5.2~A~2.~3~22.5~(~H)x.a4 with ceil parameters a = 9"8659(4), b = I8"OI39(8), c = 5'3545(2)-&, and fi = IO5O82(1) ~ Unit weights were used throughout the refinement and the final R-factor for 1263 observed non-equivalent reflections was 4'1%. The mean tetrahcdral bond length for aluminous amphiboles varies linearly with the total amount of tetrahedral A1. Curves are derived relating individual mean bond lengths with A1 occupancy. The positional disorder on the A-site of the aluminous amphiboles appears to be partly related to the amount of substitution of A1 into the T(2) tetrahedron.