#*********************************************************************************<br>
#<br>
# Crystallographic Information File for Chabazite <br>
#<br>
# Reference : <br>
#   Calligaris, M., Nardin, G. and Randaccio, L.<br>
#   Zeolites, 3, 205-208, (1983)<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_Chabazite<br>
_chemical_name_systematic 'Chabazite'<br><br>

_cell_length_a      9.459<br>
_cell_length_b      9.459<br>
_cell_length_c      9.459 <br>
_cell_angle_alpha   94.07 <br>
_cell_angle_beta    94.07 <br>
_cell_angle_gamma   94.07<br>
_cell_formula_units_Z   1<br>

<br>_space_group.name_H-M_ref   'R -3 m'<br>
_symmetry_space_group_name_H-M   'R -3 m'<br>
_symmetry_space_group_name_Hall  '-P 3* 2'<br>
_space_group.IT_number  166 <br>
_space_group.IT_coordinate_system_code  'R'<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>
K1  K  0.2222  0.2222  0.2222  2.075  0.97<br>
K2  K  0.5611  0.5611  0.2506  9.017  0.15<br>
K3  K  0.5255  0.5255  0.1064  9.96  0.22<br>
SI1  Si  0.1033  0.3331  0.8743  0.89  0.68<br>
AL1  Al  0.1033  0.3331  0.8743  0.89  0.32<br>
O1  O  0.2665  -0.2665  0  2.375  1<br>
O2  O  0.1506  -0.1506  0.5  2.076  1<br>
O3  O  0.2503  0.2503  0.893  2.216  1<br>
O4  O  0.0204  0.0204  0.3193  2.213  1<br>
H2O1  O2-(H2O)  0  0.5  0.5  12.633  0.61<br>
H2O2  O2-(H2O)  0.7387  0.7387  0.4784  8.133  0.77<br>
H2O3  O2-(H2O)  0.4469  0.4469  0.226  12.633  0.13<br>

# End of data for Chabazite<br>