#*********************************************************************************
#
# Crystallographic Information File for ITQ-52, calcined
#
# Reference :
# Jorda, J.L.
# private communication, , , (2013)
#
#
# 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-52_calcined
_chemical_name_systematic 'ITQ-52, calcined'
_cell_length_a 21.4008
_cell_length_b 17.9064
_cell_length_c 12.3678
_cell_angle_alpha 90
_cell_angle_beta 125.09
_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
O1 O 0.5941 0.3101 0.4307 3.95 1
O2 O 0.9873 0.7156 0.3025 3.95 1
O3 O 0.3991 0.8178 0.4579 3.95 1
O4 O 0.9022 0.3332 0.0622 3.95 1
O5 O 0.0271 0.5721 0.7361 3.95 1
O6 O 0.1439 0.3487 0.784 3.95 1
O7 O 0.8852 0.5724 0.8869 3.95 1
O8 O 0.1342 0.2841 0.1698 3.95 1
O9 O 0.1963 0.4279 0.6785 3.95 1
O10 O 0.2423 0.7097 0.7475 3.95 1
O11 O 0.1751 0.826 0.3351 3.95 1
O12 O 0.1692 0.0698 0.4726 3.95 1
O13 O 0.754 0.805 0.4103 3.95 1
O14 O 0.5 0.2866 0.5 3.95 1
O15 O 0.5 0.835 0 3.95 1
O16 O 0.9175 0.5 0.5309 3.95 1
O17 O 0.423 0 0.7476 3.95 1
O18 O 0.7235 0 0.531 3.95 1
O19 O 0.78 0.5 0.6827 3.95 1
Si1 Si 0.1726 0.842 0.4603 3.12 1
Si2 Si 0.0464 0.2512 0.4482 3.12 1
Si3 Si 0.206 0.7564 0.2966 3.12 1
Si4 Si 0.0707 0.3498 0.789 3.12 1
Si5 Si 0.0878 0.3452 0.0557 3.12 1
Si6 Si 0.1703 0.6546 0.6857 3.12 1
Si7 Si 0.3284 0 0.4138 3.12 1
Si8 Si 0.6305 0 0.2007 3.12 1
Si9 Si 0.775 0 0.4755 3.12 1
Si10 Si 0.9735 0.5 0.6896 3.12 1
# End of data for ITQ-52_calcined