#*********************************************************************************
#
# Crystallographic Information File for ITQ-12, calcined
#
# Reference :
# Yang, X.B., Camblor, M.A., Lee, Y., Liu, H.M. and Olson, D.H.
# J. Am. Chem. Soc., 126, 10403-10409, (2004)
#
#
# CIF downloaded from the IZA-SC Database of Zeolite Structures
# Ch. Baerlocher, L.B. McCusker and D.H. Brouwer
# Database of Zeolite Structures: https://www.iza-structure.org/databases/
#
#**********************************************************************************
data_ITQ-12_calcined
_chemical_name_systematic 'ITQ-12, calcined'

_cell_length_a 10.3359
_cell_length_b 15.0175
_cell_length_c 8.8638
_cell_angle_alpha 90
_cell_angle_beta 105.35
_cell_angle_gamma 90
_cell_formula_units_Z 1

_space_group.name_H-M_ref 'C 1 2/m 1'
_symmetry_space_group_name_H-M 'C 1 2/m 1'
_symmetry_space_group_name_Hall '-C 2y'
_space_group.IT_number 12

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 0.6486 0.2442 0.1082 0.726 1
Si2 Si 0.6957 0.3997 0.6684 0.726 1
Si3 Si 0.6 0.39893 0.3085 0.726 1
O4 O 0.5 0.221 0 1.11 1
O5 O 0.8072 0.3381 0.7758 1.11 1
O6 O 0.6205 0.5 0.2672 1.11 1
O7 O 0.6569 0.3365 0.1964 1.11 1
O8 O 0.4417 0.3801 0.2808 1.11 1
O9 O 0.6797 0.3767 0.4863 1.11 1
O10 O 0.75 0.25 0 1.11 1
O11 O 0.7394 0.5 0.7134 1.11 1
# End of data for ITQ-12_calcined