#*********************************************************************************<br>
#<br>
# Crystallographic Information File for PUK-16  <br>
#<br>
# Reference : <br>
#   Hua, W., Chen, H., Yu, Z.-B., Zou, X., Lin, J. and Sun, J.<br>
#   Angew. Chem. Int. Ed., 53, 5868-5871, (2014)<br>
#<br>
#<br>
# CIF downloaded from the IZA-SC Database of Zeolite Structures<br>
# Ch. Baerlocher and L.B. McCusker,<br>
# Database of Zeolite Structures: http://www.iza-structure.org/databases/ <br>
#<br>
#**********************************************************************************<br>


data_PUK-16_<br>
_chemical_name_systematic 'PUK-16 '<br><br>

_cell_length_a      19.0592<br>
_cell_length_b      19.0592<br>
_cell_length_c      11.6968 <br>
_cell_angle_alpha   90 <br>
_cell_angle_beta    90 <br>
_cell_angle_gamma   90<br>
_cell_formula_units_Z   1<br>

<br>_space_group.name_H-M_ref   'P 42/m n m'<br>
_symmetry_space_group_name_H-M   'P 42/m n m'<br>
_symmetry_space_group_name_Hall  '-P 4n 2n'<br>
_space_group.IT_number  136 <br>
<br>
 
 loop_<br>
_atom_site_label<br>
_atom_site_type_symbol<br>
_atom_site_fract_x<br>
_atom_site_fract_y<br>
_atom_site_fract_z<br>
_atom_site_B_iso_or_equiv<br>
_atom_site_occupancy<br>
Si1  Si  0.0584  0.0584  0.1316  2.66  0.944<br>
Ge1  Ge  0.0584  0.0584  0.1316  2.66  0.056<br>
Si2  Si  0.1983  0.0162  0.2655  2.66  0.823<br>
Ge2  Ge  0.1983  0.0162  0.2655  2.66  0.177<br>
Si3  Si  0.1174  0.0003  0.5  2.66  0.854<br>
Ge3  Ge  0.1174  0.0003  0.5  2.66  0.146<br>
Si4  Si  0.2638  0.1464  0.3708  2.66  0.452<br>
Ge4  Ge  0.2638  0.1464  0.3708  2.66  0.548<br>
Si5  Si  0.3782  0.2633  0.3655  2.66  0.193<br>
Ge5  Ge  0.3782  0.2633  0.3655  2.66  0.807<br>
O1  O  0  0  0.1511  2.87  1<br>
O2  O  0.0743  0.0743  0  2.87  1<br>
O3  O  0.1316  0.0334  0.1856  2.87  1<br>
O4  O  0.2446  -0.0494  0.2203  2.87  1<br>
O5  O  0.1688  -0.0047  0.3901  2.87  1<br>
O6  O  0.0679  -0.0679  0.5  2.87  1<br>
O7  O  0.0718  0.0718  0.5  2.87  1<br>
O8  O  0.2546  0.0797  0.278  2.87  1<br>
O9  O  0.1848  0.1848  0.375  2.87  1<br>
O10  O  0.2843  0.1137  0.5  2.87  1<br>
O11  O  0.3224  0.2009  0.3133  2.87  1<br>
O12  O  0.3468  0.3468  0.3496  2.87  1<br>
O13  O  0.4064  0.2429  0.5  2.87  1<br>
F  F  0.2612  0.2612  0.5  20  1<br>
C1  C  0.6118  -0.1052  0.0591  19.96  0.5<br>
C2  C  0.5972  -0.0326  0.064  19.96  0.583<br>
C3  C  0.5348  -0.0089  0.1176  19.96  0.583<br>
C4  C  0.502  -0.1285  0.1608  19.96  0.583<br>
C5  C  0.564  -0.1535  0.1078  19.96  0.583<br>
C6  C  0.6949  -0.207  0.0069  19.96  0.75<br>
C7  C  0.7298  -0.0792  -0.0397  19.96  0.75<br>
N1  N  0.4882  -0.0569  0.1651  19.96  0.5<br>
N2  N  0.6772  -0.1308  0.0033  19.96  0.5<br>

# End of data for PUK-16_<br>