#*********************************************************************************<br>
#<br>
# Crystallographic Information File for Sigma-2, as-made  <br>
#<br>
# Reference : <br>
#   McCusker, L.B.<br>
#   J. Appl. Crystallogr., 21, 305-310, (1988)<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_Sigma-2_as-made_<br>
_chemical_name_systematic 'Sigma-2, as-made '<br><br>

_cell_length_a      10.2387<br>
_cell_length_b      10.2387<br>
_cell_length_c      34.3829 <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 41/a m d'<br>
_symmetry_space_group_name_H-M   'I 41/a m d'<br>
_symmetry_space_group_name_Hall  '-I 4bd 2'<br>
_space_group.IT_number  141 <br>
_space_group.IT_coordinate_system_code  '2'<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  0.2843  0.25  0.1182  0.08  1<br>
SI2  Si  0.2811  0  0  0.16  1<br>
SI3  Si  0.1539  0.25  0.0349  0.08  1<br>
SI4  Si  0.151  0.25  0.1954  0.24  1<br>
O1  O  0  0.25  0.2072  1.03  1<br>
O2  O  0.2165  0.1201  0.2131  1.03  1<br>
O3  O  0.2297  0.25  0.0754  0.32  1<br>
O4  O  0.1689  0.25  0.1493  0.55  1<br>
O5  O  0  0.25  0.043  1.5  1<br>
O6  O  0.1913  0.1219  0.01  0.63  1<br>
O7  O  0.3729  0.1229  0.125  1.66  1<br>
C1  C  0.124  -0.126  0.125  7.9  0.3<br>
C2  C  0  -0.25  0.073  7.9  0.3<br>
C3  C  0  -0.126  0.099  7.9  0.3<br>
C4  C  0  -0.003  0.103  7.9  0.46<br>
C5  C  0.115  -0.151  0.086  7.9  0.53<br>
C6  C  0  -0.077  0.145  7.9  0.47<br>

# End of data for Sigma-2_as-made_<br>