#*********************************************************************************
#
# Crystallographic Information File for OSB-1 
#
# Reference : 
#   Kongshaug, K.O., Fjellvåg, H., Lillerud, K.P., Gier, T.E., Stucky, G.D. and Cheetham, A.K.
#   private communication, , , (0)
#
#
# 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-1
_chemical_name_systematic 'OSB-1'

_cell_length_a      10.0928
_cell_length_b      10.0928
_cell_length_c      7.6264 
_cell_angle_alpha   90 
_cell_angle_beta    90 
_cell_angle_gamma   120
_cell_formula_units_Z   1

_space_group.name_H-M_ref   'P 32'
_symmetry_space_group_name_H-M   'P 32'
_symmetry_space_group_name_Hall  'P 32'
_space_group.IT_number  145 

 
 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  0.5818  0.2893  0.7241  1.03  0.58
Be1  Be  0.5818  0.2893  0.7241  1.03  0.42
Si2  Si  0.2899  0.5811  0.0599  0.71  0.53
Be2  Be  0.2899  0.5811  0.0599  0.71  0.47
Si3  Si  0.0007  0.4976  0.2277  1.03  0.73
Be3  Be  0.0007  0.4976  0.2277  1.03  0.28
O1  O  0.68  0.371  0.554  1.58  1
O2  O  0.312  0.691  0.882  2.45  1
O3  O  0.465  0.107  0.681  1.66  1
O4  O  0.349  0.456  0.018  2.21  1
O5  O  0.107  0.464  0.102  1.97  1
O6  O  0.469  0.356  0.772  1.74  1
K11  K  0.005  0.462  0.72  3.95  0.44
K12  K  -0.006  0.527  0.718  4.5  0.56
K2  K  0.185  0.075  0.714  20.53  0.79
H2O1  O2-(H2O)  0.115  0.171  0.051  9.24  1
H2O2  O2-(H2O)  0.136  0.327  0.584  15  1
H2O3  O2-(H2O)  -0.138  0.189  -0.079  14.21  1

# End of data for OSB-1