#*********************************************************************************
#
# Crystallographic Information File for Na-X, hydrated 
#
# Reference : 
#   Olson, D.H.
#   J. Phys. Chem., 74, 2758-2764, (1970)
#
#
# CIF downloaded from the IZA-SC Database of Zeolite Structures
# Ch. Baerlocher and L.B. McCusker,
# Database of Zeolite Structures: http://www.iza-structure.org/databases/ 
#
#**********************************************************************************


data_Na-X_hydrated
_chemical_name_systematic 'Na-X, hydrated'

_cell_length_a      25.028
_cell_length_b      25.028
_cell_length_c      25.028 
_cell_angle_alpha   90 
_cell_angle_beta    90 
_cell_angle_gamma   90
_cell_formula_units_Z   1

_space_group.name_H-M_ref   'F d -3'
_symmetry_space_group_name_H-M   'F d -3'
_symmetry_space_group_name_Hall  '-F 2uv 2vw 3'
_space_group.IT_number  203 
_space_group.IT_coordinate_system_code  '2'

 
 loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_B_iso_or_equiv
_atom_site_occupancy
NA1  Na  0  0  0  2.53  0.54
NA2  Na  0.06  0.06  0.06  0.5  0.24
NA3  Na  0.23  0.23  0.23  0.5  0.39
NA4  Na  0.238  0.238  0.238  0.5  0.36
SI1  Si  -0.05291  0.12457  0.03509  1.16  1
SI2  Si  -0.05352  0.03671  0.12309  1.04  0.08
AL2  Al  -0.05352  0.03671  0.12309  1.04  0.92
O1  O  -0.1099  0.0002  0.1054  2.2  1
O2  O  -0.0025  -0.0041  0.1445  1.76  1
O3  O  -0.0321  0.073  0.068  2.18  1
O4  O  -0.0706  0.0772  0.1761  2.11  1
H2O1  O2-(H2O)  0.074  0.074  0.074  0.61  0.36
H2O2  O2-(H2O)  0.093  0.086  0.176  1.66  0.27
H2O3  O2-(H2O)  0.245  0.245  0.245  0.87  0.24
H2O4  O2-(H2O)  0.281  0.298  0.275  0.95  0.13
H2O5  O2-(H2O)  0.353  0.345  0.186  3.58  0.31
H2O6  O2-(H2O)  0.239  0.24  0.392  3.58  0.29
H2O7  O2-(H2O)  0.174  0.204  0.422  1.55  0.18
H2O8  O2-(H2O)  0.212  0.387  0.288  2.82  0.17
H2O9  O2-(H2O)  0.312  0.381  0.2  1.92  0.1
H2O10  O2-(H2O)  0.258  0.412  0.204  2.42  0.14

# End of data for Na-X_hydrated