#*********************************************************************************
#
# Crystallographic Information File for Na-exchanged K-F 
#
# Reference : 
#   Baerlocher, Ch. and Barrer, R.M.
#   Z. Kristallogr., 140, 10-26, (1974)
#
#
# 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-exchanged_K-F
_chemical_name_systematic 'Na-exchanged K-F'

_cell_length_a      10.056
_cell_length_b      10.056
_cell_length_c      6.68 
_cell_angle_alpha   90 
_cell_angle_beta    90 
_cell_angle_gamma   90
_cell_formula_units_Z   1

_space_group.name_H-M_ref   'P -4 21 m'
_symmetry_space_group_name_H-M   'P -4 21 m'
_symmetry_space_group_name_Hall  'P -4 2ab'
_space_group.IT_number  113 

 
 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  0.242  0.258  -0.059  1.9  0.78
NA21  Na  -0.101  0.399  0.324  2.6  0.92
NA22  Na  0  0.5  0.325  0.4  0.6
SI1  Si  0  0  0  4.5  0.5
SI2  Si  0.127  0.134  0.375  1  0.5
AL1  Al  0  0  0  4.5  0.5
AL2  Al  0.127  0.134  0.375  1  0.5
O1  O  0.099  0.093  0.133  2.7  1
O2  O  -0.018  0.184  0.466  3.7  1
O3  O  0.24  0.26  0.389  0.9  1
H2O4  O2-(H2O)  0.147  0.353  -0.272  1.7  0.5
H2O5  O2-(H2O)  0.112  0.387  -0.054  1.8  0.52
H2O6  O2-(H2O)  0  0.5  -0.181  1.8  0.36

# End of data for Na-exchanged_K-F