#*********************************************************************************<br>
#<br>
# Crystallographic Information File for Gmelinite <br>
#<br>
# Reference : <br>
#   Fischer, K.<br>
#   N. Jb. Miner. Mh., , 1-13, (1966)<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_Gmelinite<br>
_chemical_name_systematic 'Gmelinite'<br><br>

_cell_length_a      13.75<br>
_cell_length_b      13.75<br>
_cell_length_c      10.05 <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>
CA  Ca  0.3333  0.6667  0.073  6  1<br>
SI1  Si  0.441  0.106  0.093  0.9  0.6667<br>
AL1  Al  0.441  0.106  0.093  0.9  0.3333<br>
O1  O  -0.202  -0.404  0.063  2  1<br>
O2  O  0.575  0.15  0.064  2.3  1<br>
O3  O  0.411  0.067  0.25  2.3  1<br>
O4  O  0.354  0  0  2.3  1<br>
H2O1  O2-(H2O)  0.2  0.54  0.25  3.5  0.25<br>
H2O2  O2-(H2O)  0.22  0.44  0.99  9  0.5<br>
H2O3  O2-(H2O)  0.43  0.86  0.97  9  0.5<br>
H2O4  O2-(H2O)  0.17  0.34  0.25  5  0.5<br>
H2O5  O2-(H2O)  0.08  0.16  0.89  4  0.5<br>
H2O6  O2-(H2O)  0.1  0.2  0.06  6.5  0.2<br>

# End of data for Gmelinite<br>