NEUTRON DIFFRACTION DETERMINATION OF THE HYDROGEN POSITIONS IN NATROLITE

Neutron diffraction data obtained with single crystals of natrolite, Na2Al2Si3O10.2H20, have been analyzed using Fourier difference synthesis arid least squares methods. The details of the aluminosilicate framework were found to be in agreement with the results of earlier X-ray diffraction studies. The oxygen atom of the water molecule is linked by bent hydrogen bonds to two oxygen atoms in the framework, making an O—O—O angle of 134°. Lying almost in the O—O—O plane, the hydrogen atoms are located at distances of 0.94 ± 0.03 and 0.98 ± 0.02 Å from the oxygen of the water molecule and make with it an H—O—H angle of 108°. Natrolite thus provides an excellent example of the ability of the water molecule to resist the influence of the environment in opening the H—O—H angle.

NEUTRON DIFFRACTION DETERMINATION OF THE HYDROGEN POSITIONS IN NATROLITE Journal Articles