#*********************************************************************************
#
# Crystallographic Information File for IM-17
#
# Reference :
# Lorgouilloux, Y., Dodin, M., Mugnaioli, E., Marichal, C., Caullet, P., Bats, N., Kolb, U. and Paillaud, J.-L.
# RSC Adv., 4, 19440-19449, (2014)
#
#
# 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_IM-17
_chemical_name_systematic 'IM-17'

_cell_length_a 12.6788
_cell_length_b 22.217
_cell_length_c 39.058
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_formula_units_Z 1

_space_group.name_H-M_ref 'A m m 2'
_symmetry_space_group_name_H-M 'A m m 2'
_symmetry_space_group_name_Hall 'A 2 -2'
_space_group.IT_number 38

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 0.4292 0.8624 5.61 1
Si2 Si 0 0.43 0.9444 5.61 1
Si3 Si 0.1887 0.347 0.8396 5.61 1
Si4 Si 0.191 0.352 0.9672 5.61 0.762
Ge4 Ge 0.191 0.352 0.9672 5.61 0.238
Si5 Si 0.3695 0.4305 0.86112 5.61 0.44
Ge5 Ge 0.3695 0.4305 0.86112 5.61 0.56
Si6 Si 0.1262 0.2706 0.9045 5.61 0.929
Ge6 Ge 0.1262 0.2706 0.9045 5.61 0.071
Si7 Si 0.1232 0.2616 0.7852 5.61 1
Si8 Si 0.3764 0.429 0.94284 5.61 0.11
Ge8 Ge 0.3764 0.429 0.94284 5.61 0.89
Si9 Si 0.1258 0.2686 1.0268 5.61 0.772
Ge9 Ge 0.1258 0.2686 1.0268 5.61 0.228
Si10 Si 0.1222 0.1378 0.9298 5.61 1
Si11 Si 0.1965 0.1328 0.8027 5.61 1
Si12 Si 0.121 0.2547 0.704 5.61 0.927
Ge12 Ge 0.121 0.2547 0.704 5.61 0.073
Si13 Si 0.1936 0.1387 1.0048 5.61 1
Si14 Si 0.1257 0.2626 1.1047 5.61 1
Si15 Si 0.1212 0.0712 0.866 5.61 1
Si16 Si 0.3801 0.0714 0.7644 5.61 0.69
Ge16 Ge 0.3801 0.0714 0.7644 5.61 0.31
Si17 Si 0 0.0691 0.7662 5.61 1
Si18 Si 0.1899 0.1505 0.6623 5.61 0.791
Ge18 Ge 0.1899 0.1505 0.6623 5.61 0.209
Si19 Si 0.1848 0.3468 0.6479 5.61 1
Si20 Si 0.3716 0.0723 1.0442 5.61 0.3
Ge20 Ge 0.3716 0.0723 1.0442 5.61 0.7
Si21 Si 0 0.0709 1.0404 5.61 1
Si22 Si 0.3741 0.0714 0.6829 5.61 0.336
Ge22 Ge 0.3741 0.0714 0.6829 5.61 0.664
Si23 Si 0 0.0688 0.6838 5.61 1
Ge24 Ge 0.3717 0.4244 0.6273 5.61 1
Si25 Si 0 0.4288 0.6228 5.61 1
O1 O 0 0.5 0.854 4.76 1
O2 O 0 0.4193 0.9035 4.76 1
O3 O 0.1027 0.3985 0.8461 4.76 1
O4 O 0 0.5 0.952 4.76 1
O5 O 0.1026 0.401 0.9613 4.76 1
O6 O 0.3034 0.3771 0.8399 4.76 1
O7 O 0.1776 0.2945 0.8686 4.76 1
O8 O 0.1698 0.3202 0.8024 4.76 1
O9 O 0.3036 0.3836 0.9673 4.76 1
O10 O 0.1821 0.3038 0.9366 4.76 1
O11 O 0.1715 0.3216 1.0038 4.76 1
O12 O 0.5 0.4157 0.8581 4.76 1
O13 O 0.3325 0.4284 0.9024 4.76 1
O14 O 0.345 0.5 0.8444 4.76 1
O15 O 0.1466 0.1998 0.9095 4.76 1
O16 O 0 0.2831 0.9047 4.76 1
O17 O 0 0.2564 0.7947 4.76 1
O18 O 0.1853 0.2045 0.8001 4.76 1
O19 O 0.1373 0.2665 0.7443 4.76 1
O20 O 0.373 0.5 0.9589 4.76 1
O21 O 0.5 0.4035 0.9433 4.76 1
O22 O 0 0.2657 1.0227 4.76 1
O23 O 0.1771 0.2076 1.0142 4.76 1
O24 O 0.1557 0.279 1.066 4.76 1
O25 O 0.1513 0.0835 0.9051 4.76 1
O26 O 0 0.134 0.9394 4.76 1
O27 O 0.1889 0.1314 0.9642 4.76 1
O28 O 0.307 0.1124 0.7877 4.76 1
O29 O 0.1035 0.1016 0.7812 4.76 1
O30 O 0.1918 0.1129 0.8419 4.76 1
O31 O 0 0.2392 0.6964 4.76 1
O32 O 0.1932 0.1991 0.6926 4.76 1
O33 O 0.1532 0.3138 0.6828 4.76 1
O34 O 0.3056 0.1175 1.018 4.76 1
O35 O 0.1029 0.1007 1.0233 4.76 1
O36 O 0 0.2544 1.1082 4.76 1
O37 O 0.1862 0.2023 1.1173 4.76 1
O38 O 0.1622 0.3169 1.1277 4.76 1
O39 O 0.14 0 0.858 4.76 1
O40 O 0 0.088 0.8595 4.76 1
O41 O 0.3566 0.0862 0.7248 4.76 1
O42 O 0.5 0.0882 0.7728 4.76 1
O43 O 0.359 0 0.7725 4.76 1
O44 O 0 0.0724 0.725 4.76 1
O45 O 0 0 0.7776 4.76 1
O46 O 0.3013 0.1176 0.6588 4.76 1
O47 O 0.1023 0.1016 0.6693 4.76 1
O48 O 0.2967 0.379 0.6526 4.76 1
O49 O 0.1016 0.398 0.6394 4.76 1
O50 O 0.5 0.0892 1.0408 4.76 1
O51 O 0.3332 0.0831 1.0853 4.76 1
O52 O 0.351 0 1.0326 4.76 1
O53 O 0 0 1.0326 4.76 1
O54 O 0 0.0814 1.0816 4.76 1
O55 O 0.5 0.0812 0.6726 4.76 1
O56 O 0.339 0 0.6749 4.76 1
O57 O 0 0 0.6717 4.76 1
O58 O 0.361 0.5 0.6393 4.76 1
O59 O 0.5 0.4019 0.6312 4.76 1
O60 O 0 0.5 0.6313 4.76 1
H201 O2-(H2O) 0.5 0.245 0.2059 9.86 1.16
H202 O2-(H2O) 0.5 0.436 0.0425 9.86 1.17
H203 O2-(H2O) 0.5 0.5 0.305 9.86 0.71
H204 O2-(H2O) 0.5 0.5 0.6975 9.86 1.02
H205 O2-(H2O) 0.157 0.613 0.7205 9.86 0.8
# End of data for IM-17