#*********************************************************************************
#
# Crystallographic Information File for TMA-E (Aiello and Barrer) 
#
# Reference : 
#   Meier, W.M. and Groner, M.
#   J. Solid State Chem., 37, 204-218, (1981)
#
#
# 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_TMA-E_(Aiello_and_Barrer)
_chemical_name_systematic 'TMA-E (Aiello and Barrer)'

_cell_length_a      13.28
_cell_length_b      13.28
_cell_length_c      15.21 
_cell_angle_alpha   90 
_cell_angle_beta    90 
_cell_angle_gamma   120
_cell_formula_units_Z   1

_space_group.name_H-M_ref   'P 63/m m c'
_symmetry_space_group_name_H-M   'P 63/m m c'
_symmetry_space_group_name_Hall  '-P 6c 2c'
_space_group.IT_number  194 

 
 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
SI1  Si  0.233  0  0  0.9  0.739
SI2  Si  0.425  0.093  0.146  2.4  0.739
AL1  Al  0.233  0  0  0.9  0.261
AL2  Al  0.425  0.093  0.146  2.4  0.261
O1  O  0.309  -0.003  0.088  0.8  1
O2  O  0.212  0.106  0.006  0.5  1
O3  O  0.478  0.239  0.117  3.2  1
O4  O  0.399  0.081  0.25  2.6  1
O5  O  0.536  0.072  0.106  2  1
H2O1  O2-(H2O)  0.6667  0.3333  -0.003  5  0.87
H2O2  O2-(H2O)  0.461  -0.078  0.25  2  0.5
H2O3  O2-(H2O)  0.454  0.227  -0.122  5  0.91
H2O4  O2-(H2O)  0  0  -0.184  0.6  1.19
H2O5  O2-(H2O)  0.068  0.136  0.75  0.9  0.7
H2O6  O2-(H2O)  0.35  0.175  0.75  5  1.21
H2O7  O2-(H2O)  0.708  0.354  -0.073  2.1  0.49

# End of data for TMA-E_(Aiello_and_Barrer)