#*********************************************************************************<br>
#<br>
# Crystallographic Information File for Tugtupite <br>
#<br>
# Reference : <br>
#   Hassan, I. and Grundy, H.D.<br>
#   Can. Mineral., 29, 385-390, (1991)<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_Tugtupite<br>
_chemical_name_systematic 'Tugtupite'<br><br>

_cell_length_a      8.64<br>
_cell_length_b      8.64<br>
_cell_length_c      8.873 <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'<br>
_symmetry_space_group_name_H-M   'I -4'<br>
_symmetry_space_group_name_Hall  'I -4'<br>
_space_group.IT_number  82 <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  0.1563  0.1972  0.1818  1.48  1<br>
CL1  Cl  0  0  0  1.85  1<br>
SI1  Si  0.0127  0.2533  0.4958  0.58  1<br>
AL1  Al  0  0.5  0.75  0.6  1<br>
BE1  Be  0  0.5  0.25  0.77  1<br>
O1  O  0.1504  0.1343  0.4417  0.97  1<br>
O2  O  0.3472  0.0385  0.6488  0.94  1<br>
O3  O  0.4256  0.1486  0.1377  0.95  1<br>

# End of data for Tugtupite<br>