#*********************************************************************************<br>
#<br>
# Crystallographic Information File for TMA-E (Aiello and Barrer) <br>
#<br>
# Reference : <br>
#   Meier, W.M. and Groner, M.<br>
#   J. Solid State Chem., 37, 204-218, (1981)<br>
#<br>
#<br>
# CIF downloaded from the IZA-SC Database of Zeolite Structures<br>
# Ch. Baerlocher, L.B. McCusker and D.H. Brouwer<br>
# Database of Zeolite Structures: https://www.iza-structure.org/databases/ <br>
#<br>
#**********************************************************************************<br>


data_TMA-E_(Aiello_and_Barrer)<br>
_chemical_name_systematic 'TMA-E (Aiello and Barrer)'<br><br>

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

<br>_space_group.name_H-M_ref   'P 63/m m c'<br>
_symmetry_space_group_name_H-M   'P 63/m m c'<br>
_symmetry_space_group_name_Hall  '-P 6c 2c'<br>
_space_group.IT_number  194 <br>
<br>
 
 loop_<br>
_atom_site_label<br>
_atom_site_type_symbol<br>
_atom_site_fract_x<br>
_atom_site_fract_y<br>
_atom_site_fract_z<br>
_atom_site_B_iso_or_equiv<br>
_atom_site_occupancy<br>
SI1  Si  0.233  0  0  0.9  0.739<br>
SI2  Si  0.425  0.093  0.146  2.4  0.739<br>
AL1  Al  0.233  0  0  0.9  0.261<br>
AL2  Al  0.425  0.093  0.146  2.4  0.261<br>
O1  O  0.309  -0.003  0.088  0.8  1<br>
O2  O  0.212  0.106  0.006  0.5  1<br>
O3  O  0.478  0.239  0.117  3.2  1<br>
O4  O  0.399  0.081  0.25  2.6  1<br>
O5  O  0.536  0.072  0.106  2  1<br>
H2O1  O2-(H2O)  0.6667  0.3333  -0.003  5  0.87<br>
H2O2  O2-(H2O)  0.461  -0.078  0.25  2  0.5<br>
H2O3  O2-(H2O)  0.454  0.227  -0.122  5  0.91<br>
H2O4  O2-(H2O)  0  0  -0.184  0.6  1.19<br>
H2O5  O2-(H2O)  0.068  0.136  0.75  0.9  0.7<br>
H2O6  O2-(H2O)  0.35  0.175  0.75  5  1.21<br>
H2O7  O2-(H2O)  0.708  0.354  -0.073  2.1  0.49<br>

# End of data for TMA-E_(Aiello_and_Barrer)<br>