#*********************************************************************************
#
# Crystallographic Information File for ITQ-70
#
# Reference :
# Tirado, J.I., Sala, A., Bordes, A., Das, P.P., Palatinus, L., Nicolopoulos, S., Jordá, J.L., Vidal-Moya, A., Blasco, T., Sastre, G., Valencia, S. and Rey, F.
# Angew. Chem. Int. Ed. , 64, e202416515, (2025)
#
#
# 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-70
_chemical_name_systematic 'ITQ-70'
_cell_length_a 19.295
_cell_length_b 19.295
_cell_length_c 19.508
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_formula_units_Z 1
_space_group.name_H-M_ref 'P 62 2 2'
_symmetry_space_group_name_H-M 'P 62 2 2'
_symmetry_space_group_name_Hall 'P 62 2c (0 0 1)'
_space_group.IT_number 180
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 0.5 0.5 0.3333 1 1
Si2 Si 0.3063 0.3913 0.4708 1 1
Si3 Si 0.7044 0.405 0.38742 1 1
Si4 Si 0.4203 0.2336 0.3304 1 1
Si5 Si 0.4419 0.353 0.4366 1 1
Si6 Si 0.6016 0.4239 0.5037 1 1
O1 O 0.6235 0.3995 0.5755 1.5 1
O2 O 0.2716 0.3928 0.3962 1.5 1
O3 O 0.3621 0.3508 0.4663 1.5 1
O4 O 0.6671 0.3329 0.3333 1.5 1
O5 O 0.4156 0.2674 0.4042 1.5 1
O6 O 0.5117 0.2579 0.3191 1.5 1
OH7 O 0.3653 0.1379 0.3301 1.5 1
O8 O 0.638 0.3971 0.4411 1.5 1
O9 O 0.5059 0.376 0.4974 1.5 1
OH10 O 0.2331 0.3388 0.5221 1.5 1
O11 O 0.6396 0.5195 0.5011 1.5 1
O12 O 0.4798 0.4232 0.3799 1.5 1
P1 P 0.0724 0.7561 0.3784 2 0.5
N1 N 0.1243 0.8408 0.3374 2 0.5
N2 N 0.0655 0.7753 0.4584 2 0.5
N3 N -0.0169 0.7053 0.3449 2 0.5
N4 N 0.1172 0.7041 0.3699 2 0.5
C1 C 0.2002 0.8596 0.3026 2 0.666
C2 C 0.2663 0.9433 0.321 2 0.75
C3 C 0.09 0.8917 0.3186 2 0.666
C4 C 0.076 0.928 0.3827 2 0.75
C5 C -0.0136 0.7301 0.4945 2 0.666
C6 C -0.0147 0.78 0.555 2 0.75
C7 C 0.1155 0.8589 0.4855 2 0.666
C8 C 0.178 0.8611 0.535 2 0.75
C9 C -0.09 0.674 0.3877 2 0.666
C10 C -0.1429 0.7059 0.3621 2 0.75
C11 C -0.0291 0.656 0.2817 2 0.666
C12 C -0.007 0.593 0.2973 2 0.75
C13 C 0.1334 0.6649 0.4271 2 0.666
C14 C 0.123 0.5844 0.4058 2 0.75
C15 C 0.1479 0.6968 0.3018 2 0.666
C16 C 0.089 0.6172 0.2689 2 0.75
# End of data for ITQ-70