#*********************************************************************************
#
# Crystallographic Information File for Ferrierite
#
# Reference :
# Vaughan, P.A.
# Acta Crystallogr., 21, 983-990, (1966)
#
#
# 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_Ferrierite
_chemical_name_systematic 'Ferrierite'
_cell_length_a 19.156
_cell_length_b 14.127
_cell_length_c 7.489
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_formula_units_Z 1
_space_group.name_H-M_ref 'I m m m'
_symmetry_space_group_name_H-M 'I m m m'
_symmetry_space_group_name_Hall '-I 2 2'
_space_group.IT_number 71
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
NA Na 0.4285 0 0 3 0.24
MG Mg 0 0 0.5 3.29 1
SI1 Si 0.1548 0 0 1.74 0.84
SI2 Si 0.0841 0.2024 0 1.55 0.84
SI3 Si 0.2727 0 0.2905 2 0.84
SI4 Si 0.3232 0.2019 0.2067 2.08 0.84
AL1 Al 0.1548 0 0 1.74 0.16
AL2 Al 0.0841 0.2024 0 1.55 0.16
AL3 Al 0.2727 0 0.2905 2 0.16
AL4 Al 0.3232 0.2019 0.2067 2.08 0.16
O1 O 0 0.2131 0 3.84 1
O2 O 0.2528 0 0.5 3.76 1
O3 O 0.1025 0.0882 0 5.63 1
O4 O 0.2039 0 0.1776 5.21 1
O5 O 0.25 0.25 0.25 4.5 1
O6 O 0.161 0.2833 0.5 3.82 1
O7 O 0.1155 0.2497 0.1796 4.42 1
O8 O 0.3202 0.0907 0.2459 3.79 1
H2O1 O2-(H2O) 0 0 0.2389 3.66 1
H2O2 O2-(H2O) 0.0912 0.0691 0.5 7.53 0.5
H2O3 O2-(H2O) 0.0347 0.1403 0.5 9.21 0.5
# End of data for Ferrierite