#*********************************************************************************
#
# 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, L.B. McCusker, D.H. Brouwer and B. Marler
# Database of Zeolite Structures: https://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