#*********************************************************************************
#
# Crystallographic Information File for RUB-17
#
# Reference :
# Röhrig, C. and Gies, H.
# Angew. Chem. Int. Ed., 34, 63-65, (1995)
#
#
# 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_RUB-17
_chemical_name_systematic 'RUB-17'
_cell_length_a 7.238
_cell_length_b 40.56
_cell_length_c 7.308
_cell_angle_alpha 90
_cell_angle_beta 91.8
_cell_angle_gamma 90
_cell_formula_units_Z 1
_space_group.name_H-M_ref 'C 1 m 1'
_symmetry_space_group_name_H-M 'C 1 m 1'
_symmetry_space_group_name_Hall 'C -2y'
_space_group.IT_number 8
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
NA1 Na -0.141 0 0.224 1.97 1
NA2 Na -0.164 0 0.795 1.97 1
NA3 Na -0.002 0.2469 0.84 1.97 1
NA4 Na 0.05 0.1309 0.574 1.97 1
K K 0.063 0.3865 0.442 1.97 1
SI1 Si 0.317 0.0382 0.308 0.79 1
SI2 Si 0.299 0.0379 0.72 0.79 1
SI3 Si 0.572 0.0671 0.017 0.79 1
SI4 Si -0.195 0.1277 -0.024 0.79 1
SI5 Si 0.755 0.1991 0.096 0.79 1
SI6 Si 0.038 0.2185 0.397 0.79 1
SI7 Si 0.467 0.2105 0.388 0.79 1
ZN1 Zn 0 0.0605 0 0.79 1
ZN2 Zn 0.7484 0.1832 0.6786 0.79 1
O1 O 0.377 0 0.298 1.18 1
O2 O 0.317 0.052 0.515 1.18 1
O3 O 0.111 0.0427 0.224 1.18 1
O4 O 0.467 0.0603 0.205 1.18 1
O5 O 0.365 0 0.735 1.18 1
O6 O 0.086 0.042 0.773 1.18 1
O7 O 0.433 0.0609 0.844 1.18 1
O8 O 0.7478 0.043 0.004 1.18 1
O9 O -0.002 0.1084 0.01 1.18 1
O10 O 0.626 0.1058 0.022 1.18 1
O11 O -0.203 0.1599 0.106 1.18 1
O12 O 0.784 0.1378 0.762 1.18 1
O13 O 0.737 0.2124 0.888 1.18 1
O14 O -0.079 0.2182 0.204 1.18 1
O15 O 0.561 0.2066 0.192 1.18 1
O16 O -0.029 0.1919 0.544 1.18 1
O17 O 0.521 0.1815 0.53 1.18 1
O18 O 0.247 0.2091 0.346 1.18 1
O19 O 0.023 0.2549 0.485 1.18 1
H2O1 O2-(H2O) -0.1 0.0753 0.501 4.74 1.15
H2O2 O2-(H2O) 0.257 0.2093 0.898 4.74 1.15
H2O3 O2-(H2O) 0.299 0.1398 0.775 4.74 1.15
H2O4 O2-(H2O) 0.21 0.1324 0.293 4.74 1.15
H2O5 O2-(H2O) 0.746 0 0.487 4.74 1.15
# End of data for RUB-17