#*********************************************************************************
#
# Crystallographic Information File for ITQ-44
#
# Reference :
# Jiang, J., Jorda, J.L., Díaz-Cabañas, M.J., Yu, J. and Corma, A.
# Angew. Chem. Int. Ed., 49, 4986-4988, (2010)
#
#
# 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-44
_chemical_name_systematic 'ITQ-44'
_cell_length_a 19.5358
_cell_length_b 19.5358
_cell_length_c 14.45
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_formula_units_Z 1
_space_group.name_H-M_ref 'P 6/m m m'
_symmetry_space_group_name_H-M 'P 6/m m m'
_symmetry_space_group_name_Hall '-P 6 2'
_space_group.IT_number 191
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 0.4936 0.2468 0.3068 2.6 0.74
Ge1 Ge 0.4936 0.2468 0.3068 2.6 0.26
Si2 Si 0.5624 0.2812 0.1023 2.6 0.5
Ge2 Ge 0.5624 0.2812 0.1023 2.6 0.5
Si3 Si 0.6667 0.3333 0.3927 2.6 1
Si4 Si 0.4662 0.0913 0.3902 2.6 0.63
Ge4 Ge 0.4662 0.0913 0.3902 2.6 0.37
O1 O 0.4426 0.2917 0.3316 9.71 1
O2 O 0.4967 0.2483 0.1921 9.71 1
O3 O 0.573 0.2865 0.3738 9.71 1
O4 O 0.618 0.382 0.1005 9.71 1
O5 O 0.6667 0.3333 0.5 9.71 1
O6 O 0.3882 0.3882 0.377 9.71 1
O7 O 0.4756 0.3528 0.5 9.71 1
O8 O 0.5491 0.098 0.3466 9.71 1
O9 O 0.5116 0.2558 0 9.71 1
# End of data for ITQ-44