#*********************************************************************************
#
# 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 and L.B. McCusker,
# Database of Zeolite Structures: http://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