#*********************************************************************************
#
# Crystallographic Information File for OSB-2 
#
# Reference : 
#   Lillerud, K.P.
#   private communication, , , (2004)
#
#
# CIF downloaded from the IZA-SC Database of Zeolite Structures
# Ch. Baerlocher and L.B. McCusker,
# Database of Zeolite Structures: http://www.iza-structure.org/databases/ 
#
#**********************************************************************************


data_OSB-2
_chemical_name_systematic 'OSB-2'

_cell_length_a      13.7452
_cell_length_b      13.7452
_cell_length_c      30.654 
_cell_angle_alpha   90 
_cell_angle_beta    90 
_cell_angle_gamma   90
_cell_formula_units_Z   1

_space_group.name_H-M_ref   'I 4/m m m'
_symmetry_space_group_name_H-M   'I 4/m m m'
_symmetry_space_group_name_Hall  '-I 4 2'
_space_group.IT_number  139 

 
 loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_B_iso_or_equiv
_atom_site_occupancy
Si1  Si  0.5  0  0.25  3.71  0.41
Be1  Be  0.5  0  0.25  3.71  0.59
Si2  Si  0.1133  0.1133  0  3.86  1
Si3  Si  0.3942  0  0.3322  3.47  0.692
Be3  Be  0.3942  0  0.3322  3.47  0.308
Si4  Si  0.2442  0.2442  0.04727  3.94  0.562
Be4  Be  0.2442  0.2442  0.04727  3.94  0.438
Si5  Si  0.25592  0.10666  0.38612  3.55  0.683
Be5  Be  0.25592  0.10666  0.38612  3.55  0.317
O1  O  0.5  0  0.3541  7.1  1
O2  O  0.1325  0  0  7.5  1
O3  O  0.1609  0.1609  0.0425  6.47  1
O4  O  0.3358  0.0948  0.3481  6.39  1
O5  O  0.4041  0  0.28027  5.92  1
O6  O  0.2222  0  0.4026  5.76  1
O7  O  0.3346  0.1993  0.07377  6  1
O8  O  0.162  0.162  0.3675  6.23  1
O9  O  0.2798  0.2798  0  6.15  1
K1  K  0  0  0.3914  7.73  0.84
K2  K  0.2552  0  0.5  11.3  0.9776
K3  K  0.3151  0  0.0798  11.6  0.6648
K4  K  0.293  -0.141  0.2276  26.8  0.2334
K5  K  0.112  0.112  0.1232  71.8  0.415
H2O1  O2-(H2O)  -0.5  -0.03  0.5  30.7  0.59
H2O2  O2-(H2O)  0  0  0.5  16.5  1.08
H2O3  O2-(H2O)  0.061  0.061  0.4773  18.9  0.254
H2O4  O2-(H2O)  -0.5  -0.106  0.5  41  1.05
H2O5  O2-(H2O)  -0.538  0  0.557  22.8  0.139
H2O6  O2-(H2O)  0.138  0.138  0.2803  38.6  1.08
H2O7  O2-(H2O)  0  0.226  0.2441  29.2  0.51
H2O8  O2-(H2O)  0.131  0.226  0.1822  49.7  0.54
H2O11  O2-(H2O)  0.088  0.088  0.3043  34.7  0.254
H2O12  O2-(H2O)  0.257  0  0.1015  9.86  0.5
H2O13  O2-(H2O)  0  0  0.362  9.47  0.35
H2O14  O2-(H2O)  0.219  0.405  0.266  33.9  0.255

# End of data for OSB-2