#*********************************************************************************
#
# Crystallographic Information File for SU-15
#
# Reference :
# Tang, L., Shi, L., Bonneau, C., Sun, J., Yue, H., Ojuva, A., Lee, B.-L., Kritikos, M., Bell, R.G., Bacsik, Z., Mink, J. and Zou, X.
# Nature Mater., 7, 381-385, (2008)
#
#
# 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_SU-15
_chemical_name_systematic 'SU-15'
_cell_length_a 20.578
_cell_length_b 12.401
_cell_length_c 10.457
_cell_angle_alpha 90
_cell_angle_beta 104.58
_cell_angle_gamma 90
_cell_formula_units_Z 1
_space_group.name_H-M_ref 'C 1 2/c 1'
_symmetry_space_group_name_H-M 'C 1 2/c 1'
_symmetry_space_group_name_Hall '-C 2yc'
_space_group.IT_number 15
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
Ge1 Ge 0.30607 0.09677 0.18033 0.758016 0.7331
Ge2 Ge 0.30373 -0.09227 0.37763 0.813288 0.7511
Ge3 Ge 0.34845 0.33902 0.1978 0.836976 0.6401
Ge4 Ge 0.34438 0.33428 -0.10102 0.860664 0.5931
Ge5 Ge 0.45298 0.49325 -0.1492 0.742224 0.2201
Si1 Si 0.30607 0.09677 0.18033 0.758016 0.2672
Si2 Si 0.30373 -0.09227 0.37763 0.813288 0.2492
Si3 Si 0.34845 0.33902 0.1978 0.836976 0.3602
Si4 Si 0.34438 0.33428 -0.10102 0.860664 0.4072
Si5 Si 0.45298 0.49325 -0.1492 0.742224 0.7802
O11 O 0.34107 0.0015 0.299 1.721328 1
O10 O 0.5 0.4736 -0.25 3.86904 1
O9 O 0.3071 0.0396 0.0316 1.887144 1
O8 O 0.4052 0.3863 -0.1674 1.863456 1
O7 O 0.5 0.5 0 3.71112 1
O6 O 0.3636 0.3849 0.0546 2.416176 1
O5 O 0.3597 0.204 0.22 1.792392 1
O4 O 0.4102 0.3945 0.3213 2.179296 1
O3 O 0.2279 0.1222 0.2033 2.037168 1
O2 O 0.2249 -0.1157 0.2774 1.887144 1
O1 O 0.3578 -0.1998 0.3875 1.966104 1
F1 F 0.25 0.25 0 6.39576 1
N1 N 0.4668 0.8025 0.235 0.23688 0.25
N1' N 0.4697 0.8606 0.1938 0.3948 0.25
C1 C 0.3676 0.7727 0.054 3.948 0.5
C2 C 0.432 0.8324 0.095 2.84256 0.5
C3 C 0.4721 0.8258 0.01 4.26384 0.5
# End of data for SU-15