1. Sample Preparation:
One gram of dry sample
was hand-pulverized and 1μm fraction separated with a microsieve was used for data
collection.
2. Experimental
Conditions:
Part of pulverized
sample was top-loaded into the standard glass sample holder (18mm height and
0.8 mm depth), and compacted with a class slide. Data collection was performed
using horizontal goniometer Rigaku DMAX-B powder diffractometer with diffracted beam graphite
monochromator. Slits DS=1 º, SS=1º,
RS=0.15º. Two theta angular range=5-80º, Step
size=0.05º, Step time=5 sec.
3.
Diffraction data file
Diffraction data file in Binary
(Z000111.raw), ASCII (A000111.raw) and MS Excel (X,Y) formats are in CD
4. Final Rietveld plot

5.
Conditions of X-ray data collection and
Refinement for Na4[(TiO)4(SiO4)3
6H2O in Space Group R3m

6. Coordinates of atoms and isotropic thermal displacement factors

7. Figure - asymmetric unit
with atoms labeling scheme

8. Figure - polyhedral representation of the
structure

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