#*********************************************************************************<br>
#<br>
# Crystallographic Information File for Na-exchanged K-F <br>
#<br>
# Reference : <br>
#   Baerlocher, Ch. and Barrer, R.M.<br>
#   Z. Kristallogr., 140, 10-26, (1974)<br>
#<br>
#<br>
# CIF downloaded from the IZA-SC Database of Zeolite Structures<br>
# Ch. Baerlocher, L.B. McCusker and D.H. Brouwer<br>
# Database of Zeolite Structures: https://www.iza-structure.org/databases/ <br>
#<br>
#**********************************************************************************<br>


data_Na-exchanged_K-F<br>
_chemical_name_systematic 'Na-exchanged K-F'<br><br>

_cell_length_a      10.056<br>
_cell_length_b      10.056<br>
_cell_length_c      6.68 <br>
_cell_angle_alpha   90 <br>
_cell_angle_beta    90 <br>
_cell_angle_gamma   90<br>
_cell_formula_units_Z   1<br>

<br>_space_group.name_H-M_ref   'P -4 21 m'<br>
_symmetry_space_group_name_H-M   'P -4 21 m'<br>
_symmetry_space_group_name_Hall  'P -4 2ab'<br>
_space_group.IT_number  113 <br>
<br>
 
 loop_<br>
_atom_site_label<br>
_atom_site_type_symbol<br>
_atom_site_fract_x<br>
_atom_site_fract_y<br>
_atom_site_fract_z<br>
_atom_site_B_iso_or_equiv<br>
_atom_site_occupancy<br>
NA1  Na  0.242  0.258  -0.059  1.9  0.78<br>
NA21  Na  -0.101  0.399  0.324  2.6  0.92<br>
NA22  Na  0  0.5  0.325  0.4  0.6<br>
SI1  Si  0  0  0  4.5  0.5<br>
SI2  Si  0.127  0.134  0.375  1  0.5<br>
AL1  Al  0  0  0  4.5  0.5<br>
AL2  Al  0.127  0.134  0.375  1  0.5<br>
O1  O  0.099  0.093  0.133  2.7  1<br>
O2  O  -0.018  0.184  0.466  3.7  1<br>
O3  O  0.24  0.26  0.389  0.9  1<br>
H2O4  O2-(H2O)  0.147  0.353  -0.272  1.7  0.5<br>
H2O5  O2-(H2O)  0.112  0.387  -0.054  1.8  0.52<br>
H2O6  O2-(H2O)  0  0.5  -0.181  1.8  0.36<br>

# End of data for Na-exchanged_K-F<br>