#*********************************************************************************
#
# Crystallographic Information File for ITQ-37
#
# Reference :
# Sun, J., Bonneau, C., Cantin, A., Corma, A., Díaz-Cabañas, M.J., Moliner, M., Zhang, D., Li, M. and Zou, X.
# Nature, 458, 1154-1157, (2009)
#
#
# 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-37
_chemical_name_systematic 'ITQ-37'

_cell_length_a 26.5126
_cell_length_b 26.5126
_cell_length_c 26.5126
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_formula_units_Z 1

_space_group.name_H-M_ref 'P 41 3 2'
_symmetry_space_group_name_H-M 'P 41 3 2'
_symmetry_space_group_name_Hall 'P 4bd 2ab 3'
_space_group.IT_number 213

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
Si2 Si 0.0467 0.1615 0.0481 1.067 0.669
Ge2 Ge 0.0467 0.1615 0.0481 1.067 0.331
Si3 Si 0.1651 0.1643 0.0473 1.067 0.669
Ge3 Ge 0.1651 0.1643 0.0473 1.067 0.311
Si4 Si 0.1663 0.1663 0.1663 1.067 0.772
Ge4 Ge 0.1663 0.1663 0.1663 1.067 0.228
Si5 Si 0.238 0.238 0.238 1.067 0.808
Ge5 Ge 0.238 0.238 0.238 1.067 0.192
Si6 Si 0.248 0.2423 0.0076 1.067 0.735
Ge6 Ge 0.248 0.2423 0.0076 1.067 0.265
Si7 Si 0.1992 0.3348 0.0614 1.067 0.769
Ge7 Ge 0.1992 0.3348 0.0614 1.067 0.231
Si8 Si 0.0785 0.3302 0.0655 1.067 0.736
Ge8 Ge 0.0785 0.3302 0.0655 1.067 0.264
Si9 Si 0.0789 0.4501 0.0705 1.067 0.503
Ge9 Ge 0.0789 0.4501 0.0705 1.067 0.497
Si1 Si 0.0453 0.0453 0.0453 1.067 0.021
Ge1 Ge 0.0453 0.0453 0.0453 1.067 0.979
Si10 Si 0.2005 0.4519 0.0622 1.067 0.032
Ge10 Ge 0.2005 0.4519 0.0622 1.067 0.968
O1 O 0.0073 0.0073 0.0073 2.72 1
O2 O 0.0201 0.1053 0.0427 2.72 1
O3 O 0.0364 0.1833 0.1054 2.72 1
O4 O 0.1056 0.1665 0.0302 2.72 1
O5 O 0.0148 0.1979 0.0079 2.72 1
O6 O 0.1751 0.1808 0.1065 2.72 1
O7 O 0.2022 0.2022 0.2022 2.72 1
O8 O 0.1997 0.2025 0.0117 2.72 1
O9 O 0.2311 0.2999 0.0205 2.72 1
O10 O 0.2186 0.322 0.1191 2.72 1
O11 O 0.2187 0.3915 0.0471 2.72 1
O12 O 0.139 0.3248 0.0526 2.72 1
O13 O 0.0434 0.2949 0.0279 2.72 1
O14 O 0.0658 0.3157 0.125 2.72 1
O15 O 0.0618 0.3903 0.06 2.72 1
O16 O 0.0455 0.4898 0.0336 2.72 1
O17 O 0.137 0.4594 0.0502 2.72 1
O18 O 0.2151 0.4651 0.125 2.72 1
O19 O 0.2329 0.4952 0.0234 2.72 1
O31 O 0.432 0.676 0.012 7.67 1.3
O32 O 0.8175 0.1919 0.6133 7.67 1.3
O33 O 0.3569 0.7811 0.379 7.67 1.3
O34 O 0.615 0.8537 0.4634 7.67 1.3
F1 F 0.1058 0.1058 0.1058 7.67 1
F2 F 0.1395 0.3895 0.125 7.67 1
C1 C 0.6838 0.0575 0.1764 7.67 1.3
C2 C 0.622 0.3984 0.1658 7.67 1.3
C3 C 0.5537 0.2994 0.3811 7.67 1.3
C4 C 0.0981 0.3486 0.349 7.67 1.3
C5 C 0.6047 0.3281 0.2618 7.67 1.3
C6 C 0.0611 0.182 0.9029 7.67 1.3
C7 C 0.8554 0.095 0.4308 7.67 1.3
C8 C 0.868 0.1983 0.5136 7.67 1.3
C9 C 0.0964 0.4892 0.4008 7.67 1.3
C10 C 0.5649 0.1381 0.3951 7.67 1.3
C11 C 0.8017 0.1099 0.295 7.67 1.3
C12 C 0.0785 0.0509 0.9212 7.67 1.3
# End of data for ITQ-37