#*********************************************************************************<br>
#<br>
# Crystallographic Information File for Bicchulite <br>
#<br>
# Reference : <br>
#   Sahl, K. and Chatterjee, N.D.<br>
#   Z. Kristallogr., 146, 35-41, (1977)<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_Bicchulite<br>
_chemical_name_systematic 'Bicchulite'<br><br>

_cell_length_a      8.825<br>
_cell_length_b      8.825<br>
_cell_length_c      8.825 <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 3 m'<br>
_symmetry_space_group_name_H-M   'I -4 3 m'<br>
_symmetry_space_group_name_Hall  'I -4 2 3'<br>
_space_group.IT_number  217 <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  0.1434  0.1434  0.1434  0.75  1<br>
SI  Si  0.25  0.5  0  0.49  0.3333<br>
AL  Al  0.25  0.5  0  0.49  0.6667<br>
O  O  0.1407  0.1407  0.422  0.94  1<br>
OH  O1-(OH)  0.3845  0.3845  0.3845  0.93  1<br>
H  H  0.328  0.328  0.328  1  1<br>

# End of data for Bicchulite<br>