#*********************************************************************************
#
# Crystallographic Information File for Beta polymorph A, siliceous 
#
# Reference : 
#   Newsam, J.M., Treacy, M.M.J., Koetsier, W.T.  and de Gruyter, C.B.
#   Proc. R. Soc. Lond. A, 420, 375-405, (1988)
#
#
# 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_Beta_polymorph_A_siliceous
_chemical_name_systematic 'Beta polymorph A, siliceous'

_cell_length_a      12.66139
_cell_length_b      12.66139
_cell_length_c      26.40612 
_cell_angle_alpha   90 
_cell_angle_beta    90 
_cell_angle_gamma   90
_cell_formula_units_Z   1

_space_group.name_H-M_ref   'P 41 2 2'
_symmetry_space_group_name_H-M   'P 41 2 2'
_symmetry_space_group_name_Hall  'P 4w 2c'
_space_group.IT_number  91 

 
 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  0.33694  0.79277  0.05619  0  1
SI2  Si  0.33711  0.54031  0.05606  0  1
SI3  Si  0.71647  0.793  0.05872  0  1
SI4  Si  0.71656  0.54076  0.05884  0  1
SI5  Si  0.95425  0.79364  0.05555  0  1
SI6  Si  0.95434  0.5404  0.05556  0  1
SI7  Si  0.14278  0.85722  0.125  0  1
SI8  Si  0.52836  0.85702  0.12552  0  1
SI9  Si  0.52842  0.47158  0.125  0  1
O10  O  0.33623  0.66652  0.06515  0  1
O11  O  0.33454  0.81732  -0.00385  0  1
O12  O  0.23433  0.84457  0.08279  0  1
O13  O  0.44268  0.84276  0.08069  0  1
O20  O  0.33456  0.51612  -0.00402  0  1
O21  O  0.23464  0.48822  0.08264  0  1
O22  O  0.44301  0.49038  0.08043  0  1
O30  O  0.71891  0.6669  0.06809  0  1
O31  O  0.83544  0.83902  0.06074  0  1
O32  O  0.64609  0.84874  0.10222  0  1
O40  O  0.83559  0.4949  0.06084  0  1
O41  O  0.64627  0.48518  0.10242  0  1
O50  O  1  0.82149  0  0  1
O51  O  0.95304  0.66702  0.06321  0  1
O52  O  1.02844  0.84708  0.09824  0  1
O60  O  1  0.51256  0  0  1
O61  O  1.02874  0.48708  0.09821  0  1

# End of data for Beta_polymorph_A_siliceous