#*********************************************************************************
#
# Crystallographic Information File for Epistilbite
#
# Reference :
# Perrotta, A.J.
# Mineral. Mag., 36, 480-490, (1967)
#
#
# 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_Epistilbite
_chemical_name_systematic 'Epistilbite'
_cell_length_a 9.08
_cell_length_b 17.74
_cell_length_c 10.25
_cell_angle_alpha 90
_cell_angle_beta 124.54
_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 0.76 0 0.251 2.6 0.26
CA1 Ca 0.76 0 0.251 2.6 0.64
SI1 Si 0.001 0.088 0.161 0.6 0.74
SI2 Si 0.293 0.208 0.39 0.8 0.74
SI3 Si 0.707 0.197 0.097 1.1 0.74
AL1 Al 0.001 0.088 0.161 0.6 0.26
AL2 Al 0.293 0.208 0.39 0.8 0.26
AL3 Al 0.707 0.197 0.097 1.1 0.26
O1 O 0.021 0 0.215 0.8 1
O2 O 0 0.1 0 2 1
O3 O 0.812 0.117 0.132 1.7 1
O4 O 0.17 0.134 0.309 1.5 1
O5 O 0.5 0.18 0 3.1 1
O6 O 0.5 0.179 0.5 1.1 1
O7 O 0.75 0.25 0 4.6 1
O8 O 0.773 0.233 0.261 4.7 1
O9 O 0.25 0.25 0.5 4.6 1
H2O1 O2-(H2O) 0.724 0 0.502 4.9 0.875
H2O2 O2-(H2O) 0 0.078 0.5 4.9 0.875
H2O3 O2-(H2O) 0.559 0.082 0.281 4 0.875
H2O4 O2-(H2O) 0.5 0 0 3.3 0.875
# End of data for Epistilbite