#*********************************************************************************
#
# Crystallographic Information File for Stilbite
#
# Reference :
# Galli, E.
# Acta Crystallogr., B27, 833-841, (1971)
#
#
# 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_Stilbite
_chemical_name_systematic 'Stilbite'
_cell_length_a 13.64
_cell_length_b 18.24
_cell_length_c 11.27
_cell_angle_alpha 90
_cell_angle_beta 128
_cell_angle_gamma 90
_cell_formula_units_Z 1
_space_group.name_H-M_ref 'C 1 2/m 1'
_symmetry_space_group_name_H-M 'C 1 2/m 1'
_symmetry_space_group_name_Hall '-C 2y'
_space_group.IT_number 12
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 0.5055 0.0659 0.0392 4.28 0.22
CA1 Ca 0.2805 0 0.0949 2.15 1
SI1 Si 0.483 0.3042 0.242 0.46 0.5
SI2 Si 0.2653 0.3097 0.2619 0.33 0.73
SI3 Si 0.1892 0.0893 0.4846 0.4 0.73
SI4 Si 0.1124 0.3166 0.5013 0.43 1
SI5 Si 0 0.261 0 0.42 0.5
AL1 Al 0.483 0.3042 0.242 0.46 0.5
AL2 Al 0.2653 0.3097 0.2619 0.33 0.27
AL3 Al 0.1892 0.0893 0.4846 0.4 0.27
AL5 Al 0 0.261 0 0.42 0.5
O1 O 0.4645 0.2911 0.0842 1.4 1
O2 O 0.1164 0.3162 0.1189 1.38 1
O3 O 0.0512 0.2661 0.3516 2.03 1
O4 O 0.0638 0.1199 0.3226 1.41 1
O5 O 0.2935 0.2308 0.3453 2.01 1
O6 O 0.3001 0.3796 0.3714 1.76 1
O7 O 0.3406 0.3162 0.1914 1.4 1
O8 O 0.3157 0.1119 0.5024 1.78 1
O9 O 0.1863 0 0.4876 1.75 1
O10 O 0 0.3509 0.5 1.15 1
H2O1 O2-(H2O) 0.1347 0.0776 0.1067 7.45 0.84
H2O2 O2-(H2O) 0.3306 0.1258 0.1013 4.71 0.91
H2O3 O2-(H2O) 0.3691 0 0.3549 3.58 0.85
H2O4 O2-(H2O) 0.5124 0 0.2416 9.98 1
H2O5 O2-(H2O) 0.4028 0.5 0.1632 4.72 1
H2O6 O2-(H2O) 0.1712 0.5 0.104 10.16 1
# End of data for Stilbite