#*********************************************************************************<br>
#<br>
# Crystallographic Information File for OSB-2 <br>
#<br>
# Reference : <br>
#   Lillerud, K.P.<br>
#   private communication, , , (2004)<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_OSB-2<br>
_chemical_name_systematic 'OSB-2'<br><br>

_cell_length_a      13.7452<br>
_cell_length_b      13.7452<br>
_cell_length_c      30.654 <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 m'<br>
_symmetry_space_group_name_H-M   'I 4/m m m'<br>
_symmetry_space_group_name_Hall  '-I 4 2'<br>
_space_group.IT_number  139 <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  0.5  0  0.25  3.71  0.41<br>
Be1  Be  0.5  0  0.25  3.71  0.59<br>
Si2  Si  0.1133  0.1133  0  3.86  1<br>
Si3  Si  0.3942  0  0.3322  3.47  0.692<br>
Be3  Be  0.3942  0  0.3322  3.47  0.308<br>
Si4  Si  0.2442  0.2442  0.04727  3.94  0.562<br>
Be4  Be  0.2442  0.2442  0.04727  3.94  0.438<br>
Si5  Si  0.25592  0.10666  0.38612  3.55  0.683<br>
Be5  Be  0.25592  0.10666  0.38612  3.55  0.317<br>
O1  O  0.5  0  0.3541  7.1  1<br>
O2  O  0.1325  0  0  7.5  1<br>
O3  O  0.1609  0.1609  0.0425  6.47  1<br>
O4  O  0.3358  0.0948  0.3481  6.39  1<br>
O5  O  0.4041  0  0.28027  5.92  1<br>
O6  O  0.2222  0  0.4026  5.76  1<br>
O7  O  0.3346  0.1993  0.07377  6  1<br>
O8  O  0.162  0.162  0.3675  6.23  1<br>
O9  O  0.2798  0.2798  0  6.15  1<br>
K1  K  0  0  0.3914  7.73  0.84<br>
K2  K  0.2552  0  0.5  11.3  0.9776<br>
K3  K  0.3151  0  0.0798  11.6  0.6648<br>
K4  K  0.293  -0.141  0.2276  26.8  0.2334<br>
K5  K  0.112  0.112  0.1232  71.8  0.415<br>
H2O1  O2-(H2O)  -0.5  -0.03  0.5  30.7  0.59<br>
H2O2  O2-(H2O)  0  0  0.5  16.5  1.08<br>
H2O3  O2-(H2O)  0.061  0.061  0.4773  18.9  0.254<br>
H2O4  O2-(H2O)  -0.5  -0.106  0.5  41  1.05<br>
H2O5  O2-(H2O)  -0.538  0  0.557  22.8  0.139<br>
H2O6  O2-(H2O)  0.138  0.138  0.2803  38.6  1.08<br>
H2O7  O2-(H2O)  0  0.226  0.2441  29.2  0.51<br>
H2O8  O2-(H2O)  0.131  0.226  0.1822  49.7  0.54<br>
H2O11  O2-(H2O)  0.088  0.088  0.3043  34.7  0.254<br>
H2O12  O2-(H2O)  0.257  0  0.1015  9.86  0.5<br>
H2O13  O2-(H2O)  0  0  0.362  9.47  0.35<br>
H2O14  O2-(H2O)  0.219  0.405  0.266  33.9  0.255<br>

# End of data for OSB-2<br>