#*********************************************************************************
#
# Crystallographic Information File for ITQ-43
#
# Reference :
# Jiang, J., Jorda, J. L., Yu, J. Laurent A. Baumes, L. A., Mugnaioli, E., Díaz-Cabañas, M. J., Kolb, U. and Corma A.
# Science, 333, 1131-1134, (2011)
#
#
# 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-43
_chemical_name_systematic 'ITQ-43'
_cell_length_a 26.102
_cell_length_b 41.9
_cell_length_c 12.847
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_formula_units_Z 1
_space_group.name_H-M_ref 'C m m m'
_symmetry_space_group_name_H-M 'C m m m'
_symmetry_space_group_name_Hall '-C 2 2'
_space_group.IT_number 65
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 0.938944 0.208688 0.5 2.4 1
Si2 Si 0.66944 0.198142 0.624674 2.4 0.7514
Ge2 Ge 0.66944 0.198142 0.624674 2.4 0.2486
Si3 Si 0.938937 0.133193 0.5 2.4 1
Si4 Si 0.88685 0.096892 0.694801 2.4 0.81
Ge4 Ge 0.88685 0.096892 0.694801 2.4 0.19
Si5 Si 0.939971 0.134553 0.121429 2.4 0.648
Ge5 Ge 0.939971 0.134553 0.121429 2.4 0.352
Si6 Si 0.785541 0.198112 0.620359 2.4 0.7516
Ge6 Ge 0.785541 0.198112 0.620359 2.4 0.2484
Si7 Si 0.939919 0.20893 0.12161 2.4 0.474
Ge7 Ge 0.939919 0.20893 0.12161 2.4 0.526
Si8 Si 0.785023 0.123998 0.621198 2.4 0.76
Ge8 Ge 0.785023 0.123998 0.621198 2.4 0.24
Si9 Si 0.878026 0.238293 0.693796 2.4 1
Si10 Si 0.670599 0.126278 0.625736 2.4 0.31
Ge10 Ge 0.670599 0.126278 0.625736 2.4 0.69
Si11 Si 0.942351 0.037969 0.37756 2.4 0.714
Ge11 Ge 0.942351 0.037969 0.37756 2.4 0.286
O1 O 0.914526 0.225189 0.602198 3 1
O2 O 0.867699 0.275976 0.679623 3 1
O3 O 0.848359 0.337725 0.654371 3 1
O4 O 0.833182 0.29732 0.5 3 1
O5 O 0.829456 0.378358 0.5 3 1
O6 O 0.772144 0.296915 0.336645 3 1
O7 O 0.77175 0.379825 0.32956 3 1
O8 O 0.711571 0.290853 0.5 3 1
O9 O 0.698013 0.338967 0.370208 3 1
O10 O 0.716388 0.386421 0.5 3 1
O11 O 0.824099 0.219625 0.689369 3 1
O12 O 0.598133 0.440654 0.689234 3 1
O13 O 0.56902 0.455 0.5 3 1
O14 O 0.563078 0.5 0.354438 3 1
O15 O 0.5 0.44956 0.351164 3 1
O16 O 0.674563 0.601607 0.682834 3 1
O17 O 0.414998 0.616441 0.602178 3 1
O18 O 0.427335 0.671677 0.853393 3 1
O19 O 0.5 0.716051 0.854542 3 1
O20 O 0.5 0.627549 0.855138 3 1
O21 O 0.5 0.714206 0.5 3 1
O22 O 0.5 0.627769 0.5 3 1
O23 O 0.42695 0.670926 0.5 3 1
O24 O 0.405058 0.611605 0.805517 3 1
O25 O 0.595243 0.731719 0.804818 3 1
OH26 O 0.86847 0.399456 0.321756 3 1
O27 O 0.572449 0.283602 0 3 1
O28 O 0.57239 0.372801 0 3 1
# End of data for ITQ-43