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Ab initio crystal structure determination of Na2Si3O7 from conventional powder diffraction data

By V. Kahlenberg, B. Marler, Juan Carlos Muñoz Acevedo and J. Patarin

Abstract

The crystal structure of Na2Si3O7 has been determined by direct methods using integrated intensities of conventional X-ray powder diffraction data and subsequently refined with the Rietveld technique. The title compound was prepared from Na2Si3O7 × H2O by careful thermal decomposition at 440°C. Sodium trisilicate adopts monoclinic symmetry, space group P21/c with unit cell parameters a = 7.1924(5) Å, b = 10.6039(8) Å, c = 9.8049(7) Å, β = 120.2478(4),° V = 646.0(9) Å3 and Z = 4. It belongs to the group of interrupted framework silicates of four- and three-connected [SiO4]-tetrahedra with a ratio of Q3:Q4 = 2:1. Within the framework the sodium atoms are coordinated by 4 to 6 oxygen ligands. The porous character of the new phase is reflected in a framework density FD = 18.6 T-atoms/1000 Å3, a value which is comparable to those observed in zeolitic materials. The topology of the tetrahedral network is identical to the one observed in the hydrous sodium silicate Na2Si3O7 × H2O. Difference

Topics: Interrupted framework structure, Na2Si3O7, Sodium trisilicate
Publisher: 'Elsevier BV'
Year: 2002
DOI identifier: 10.1016/S1293-2558(02)00006-7
OAI identifier: oai:repositorio.uchile.cl:2250/156003
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