#*********************************************************************************
#
# Crystallographic Information File for ITQ-7, siliceous, calcined 
#
# Reference : 
#   Villaescusa, L.A., Barrett, P.A. and Camblor, M.A.
#   Angew. Chem. Int. Ed., 38, 1997-2000, (1999)
#
#
# 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_ITQ-7_siliceous_calcined
_chemical_name_systematic 'ITQ-7, siliceous, calcined'

_cell_length_a      12.8528
_cell_length_b      12.8528
_cell_length_c      25.2136 
_cell_angle_alpha   90 
_cell_angle_beta    90 
_cell_angle_gamma   90
_cell_formula_units_Z   1

_space_group.name_H-M_ref   'P 42/m m c'
_symmetry_space_group_name_H-M   'P 42/m m c'
_symmetry_space_group_name_Hall  '-P 4c 2'
_space_group.IT_number  131 

 
 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  0.1192  0.1146  0.06251  0  1
Si2  Si  0.3062  0.2511  0.90459  0  1
Si3  Si  0.5  0.1167  0.06146  0  1
Si4  Si  0.3822  0.3849  0.18813  0  1
Si5  Si  0.3793  0.388  0  0  1
O1  O  0.1426  0.1313  0  0  1
O2  O  0.1512  0  0.0788  0  1
O3  O  0  0.1379  0.0742  0  1
O4  O  0.2002  0.1888  0.087  0  1
O5  O  0.3996  0.1685  0.9116  0  1
O6  O  0.3197  0.3334  0.9486  0  1
O7  O  0.3205  0.3027  0.8453  0  1
O8  O  0.5  0  0.0759  0  1
O9  O  0.5  0.1373  0  0  1
O10  O  0.5  0.3733  0  0  1
O11  O  0.3327  0.5  0  0  1
O12  O  0.3584  0.3584  0.25  0  1
O13  O  0.5  0.3626  0.1782  0  1
O14  O  0.3552  0.5  0.1725  0  1

# End of data for ITQ-7_siliceous_calcined