#*********************************************************************************
#
# 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 and L.B. McCusker,
# Database of Zeolite Structures: http://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