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