#*********************************************************************************
#
# 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, L.B. McCusker and D.H. Brouwer
# Database of Zeolite Structures: https://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