data_BOG

#**************************************************************************
#
# CIF taken from the IZA-SC Database of Zeolite Structures
# Ch. Baerlocher and L.B. McCusker
# Database of Zeolite Structures: http://www.iza-structure.org/databases/ 
#
# The atom coordinates and the cell parameters were optimized with DLS76
# assuming a pure SiO2 composition.
#
#**************************************************************************

_cell_length_a                  20.0140(0)
_cell_length_b                  23.5800(0)
_cell_length_c                  12.6690(0)
_cell_angle_alpha               90.0000(0)
_cell_angle_beta                90.0000(0)
_cell_angle_gamma               90.0000(0)

_symmetry_space_group_name_H-M     'I m m a'
_symmetry_Int_Tables_number         74
_symmetry_cell_setting             orthorhombic

loop_
_symmetry_equiv_pos_as_xyz
'+x,+y,+z'
'1/2+x,1/2+y,1/2+z'
'-x,+y,+z'
'1/2-x,1/2+y,1/2+z'
'+x,1/2-y,+z'
'1/2+x,-y,1/2+z'
'-x,1/2-y,+z'
'1/2-x,-y,1/2+z'
'-x,-y,-z'
'1/2-x,1/2-y,1/2-z'
'+x,-y,-z'
'1/2+x,1/2-y,1/2-z'
'-x,1/2+y,-z'
'1/2-x,+y,1/2-z'
'+x,1/2+y,-z'
'1/2+x,+y,1/2-z'

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
    O1    O     0.2002    0.1449    0.5630
    O2    O     0.1209    0.1762    0.7179
    O3    O     0.2033    0.2500    0.6322
    O4    O     0.2500    0.1671    0.7500
    O5    O     0.1038    0.1441    0.9152
    O6    O     0.0000    0.1696    0.7975
    O7    O     0.0817    0.2500    0.8607
    O8    O     0.2090    0.0705    0.4088
    O9    O     0.1762    0.9629    0.4000
   O10    O     0.1229    0.0354    0.2665
   O11    O     0.2500    0.0076    0.2500
   O12    O     0.1011    0.0720    0.0737
   O13    O     0.0825    0.9643    0.1201
   O14    O     0.0000    0.0415    0.1935
   O15    O     0.2986    0.0708    0.5605
    T1    Si    0.1935    0.1847    0.6657
    T2    Si    0.0767    0.1849    0.8229
    T3    Si    0.1896    0.0192    0.3308
    T4    Si    0.0766    0.0283    0.1634
    T5    Si    0.2210    0.0809    0.5330
    T6    Si    0.1222    0.0806    0.9521

