#*********************************************************************************<br>
#<br>
# Crystallographic Information File for Garronite <br>
#<br>
# Reference : <br>
#   Artioli, G.<br>
#   Am. Mineral., 77, 189-196, (1992)<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_Garronite<br>
_chemical_name_systematic 'Garronite'<br><br>

_cell_length_a      9.9266<br>
_cell_length_b      9.9266<br>
_cell_length_c      10.3031 <br>
_cell_angle_alpha   90 <br>
_cell_angle_beta    90 <br>
_cell_angle_gamma   90<br>
_cell_formula_units_Z   1<br>

<br>_space_group.name_H-M_ref   'I -4 m 2'<br>
_symmetry_space_group_name_H-M   'I -4 m 2'<br>
_symmetry_space_group_name_Hall  'I -4 -2'<br>
_space_group.IT_number  119 <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>
NA1  Na  0  0.281  0.223  6.32  0.1<br>
CA1  Ca  0  0.352  0.094  8.69  0.197<br>
CA2  Ca  0  0.238  0.107  8.69  0.155<br>
SI1  Si  0.1607  0.1607  0.5  3.08  0.65<br>
SI2  Si  0.3421  0.1579  0.25  4.03  0.65<br>
AL1  Al  0.1607  0.1607  0.5  3.08  0.35<br>
AL2  Al  0.3421  0.1579  0.25  4.03  0.35<br>
O11  O  0.1746  0  0.5351  2.68  1<br>
O12  O  0.3078  0  0.2192  2.53  1<br>
O2  O  0.2922  0.2488  0.1244  6.71  1<br>
H2O1  O2-(H2O)  0  0  0.159  9.24  1<br>
H2O21  O2-(H2O)  0.105  0.395  0.25  2.05  0.14<br>
H2O22  O2-(H2O)  0.161  0.433  0.234  2.05  0.24<br>
H2O3  O2-(H2O)  0  0.173  0.981  16.58  0.39<br>

# End of data for Garronite<br>