#*********************************************************************************
#
# Crystallographic Information File for Perlialite
#
# Reference :
# Artioli, G. and Kvick, Å.
# Eur. J. Mineral., 2, 749-759, (1990)
#
#
# 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_Perlialite
_chemical_name_systematic 'Perlialite'
_cell_length_a 18.5432
_cell_length_b 18.5432
_cell_length_c 7.531
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_formula_units_Z 1
_space_group.name_H-M_ref 'P 6/m m m'
_symmetry_space_group_name_H-M 'P 6/m m m'
_symmetry_space_group_name_Hall '-P 6 2'
_space_group.IT_number 191
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
K1 K 0.33 0.66 0 5.53 0.18
K2 K 0.33 0.66 0.5 1.18 0.38
K21 K 0.33 0.66 0.427 1.18 0.31
K3 K 0.297 0 0 3.63 0.517
Tl3 Tl 0.315 0 0 3.63 0.483
K4 K 0.5 0 0.5 3.24 0.699
Tl4 Tl 0.5 0 0.5 3.24 0.301
Si1 Si 0.0924 0.3546 0.5 2.53 0.667
Si2 Si 0.1672 0.4975 0.215 4.9 0.667
Al1 Al 0.0924 0.3546 0.5 2.53 0.333
Al2 Al 0.1672 0.4975 0.215 4.9 0.333
O1 O 0 0.272 0.5 0.79 1
O2 O 0.158 0.316 0.5 4.74 1
O3 O 0.26 0.52 0.288 5.53 1
O4 O 0.1038 0.4125 0.326 1.82 1
O5 O 0.4092 0.818 0.213 4.74 1
O6 O 0.156 0.483 0 1.18 1
H2O1 O2-(H2O) 0.11 0 0 7.11 0.4
H2O2 O2-(H2O) 0.134 0 0.37 7.11 0.91
H2O3 O2-(H2O) 0.28 0.14 0 2.37 0.25
H2O4 O2-(H2O) 0.28 0.14 0.26 7.9 0.19
H2O5 O2-(H2O) 0 0 0.172 7.9 0.7
H2O6 O2-(H2O) 0.56 0.28 0 7.9 0.66
# End of data for Perlialite