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