#*********************************************************************************
#
# Crystallographic Information File for ITQ-17 (Beta polymorph C) 
#
# Reference : 
#   Corma, A., Navarro, M.T., Rey, F., Rius, J. and Valencia, S.
#   Angew. Chem. Int. Ed., 40, 2277-2280, (2001)
#
#
# 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-17_(Beta_polymorph_C)
_chemical_name_systematic 'ITQ-17 (Beta polymorph C)'

_cell_length_a      12.823
_cell_length_b      12.823
_cell_length_c      13.345 
_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  0.3777  0.1259  0.1143  2.4  0.54
Ge1  Ge  0.3777  0.1259  0.1143  2.4  0.46
Si2  Si  0.1915  0.1915  0.25  2.4  0.72
Ge2  Ge  0.1915  0.1915  0.25  2.4  0.28
Si3  Si  0  0.1229  0.116  2.4  0.77
Ge3  Ge  0  0.1229  0.116  2.4  0.23
O1  O  0  0  0.1303  2.4  1
O2  O  0.0994  0.1764  0.1705  2.4  1
O3  O  0.3486  0  0.1278  2.4  1
O4  O  0.5  0.1481  0.1555  2.4  1
O5  O  0.301  0.1772  0.1954  2.4  1
O6  O  0.3543  0.1583  0  2.4  1
O7  O  0  0.1635  0  2.4  1

# End of data for ITQ-17_(Beta_polymorph_C)