Crystal chemistry of silica-rich Barium silicates

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Abstract
The crystal structures of the three synthetic title compounds have been refined with three-dimensional MoKα X-ray intensities. For each compound results are given in the order a, b, c, β, Z, space group, number of independent reflections, R (unweighted), R (weighted): Ba4[Si6O16]: 12.477(2) Å, 4.685(1) Å, 13.944(3) Å, 93.54(2)°, 2, P21/c, 1249, 0.051, 0.046. Ba5[Si8O21]: 32.675(7) Å, 4.695(1) Å, 13.894(3) Å, 98.10(2)°, 4, C2/c, 915, 0.053, 0.044. Ba6[Si10O26]: 20.196(4) Å, 4.707(1) Å, 13.842(3) Å, 98.61(2)°, 2, P21/c, 1529, 0.058, 0.048. In the three silicates corner-sharing [SiO4] tetrahedra form chains with two tetrahedra in the repeat unit parallel [010] (zweier single chains). In Ba4[Si6O16] three such single chains are linked into a zweier triple chain, in Ba5[Si8O21] four chains make a zweier quadruple chain and in Ba6[Si10O26] five chains make a zweier quintuple chain. Each barium ion is coordinated by eight oxygen atoms forming distorted square antiprisms.

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