#*********************************************************************************<br>
#<br>
# Crystallographic Information File for Mg-BCTT <br>
#<br>
# Reference : <br>
#   Dollase, W.A. and Ross, C.R.<br>
#   Am. Mineral., 78, 627-632, (1993)<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_Mg-BCTT<br>
_chemical_name_systematic 'Mg-BCTT'<br><br>

_cell_length_a      8.957<br>
_cell_length_b      8.957<br>
_cell_length_c      5.281 <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 m'<br>
_symmetry_space_group_name_H-M   'I 4 m m'<br>
_symmetry_space_group_name_Hall  'I 4 -2'<br>
_space_group.IT_number  107 <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>
Si1  Si  0.1805  0.1805  0  0.79  0.715<br>
Mg1  Mg  0.1805  0.1805  0  0.79  0.285<br>
O1  O  0.2144  0  0.0695  1.58  1<br>
O2  O  0.2889  0.2889  0.1914  1.58  1<br>
K1  K  0  0.5  0.296  2.37  0.64<br>
K2  K  0  0  0.4979  2.37  1<br>

# End of data for Mg-BCTT<br>