#*********************************************************************************<br>
#<br>
# Crystallographic Information File for DAF-1, as-made <br>
#<br>
# Reference : <br>
#   Wright, P.A., Jones, R.H., Natarajan, S., Bell, R.G., Chen, J.S., Hursthouse, M.B. and Thomas, J.M.<br>
#   Chem. Commun., , 633-635, (1993)<br>
#<br>
#<br>
# CIF downloaded from the IZA-SC Database of Zeolite Structures<br>
# Ch. Baerlocher, L.B. McCusker and D.H. Brouwer<br>
# Database of Zeolite Structures: https://www.iza-structure.org/databases/ <br>
#<br>
#**********************************************************************************<br>


data_DAF-1_as-made<br>
_chemical_name_systematic 'DAF-1, as-made'<br><br>

_cell_length_a      22.351<br>
_cell_length_b      22.351<br>
_cell_length_c      21.693 <br>
_cell_angle_alpha   90 <br>
_cell_angle_beta    90 <br>
_cell_angle_gamma   120<br>
_cell_formula_units_Z   1<br>

<br>_space_group.name_H-M_ref   'P 6/m m m'<br>
_symmetry_space_group_name_H-M   'P 6/m m m'<br>
_symmetry_space_group_name_Hall  '-P 6 2'<br>
_space_group.IT_number  191 <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>
T1  Si  0.0803  0.3024  0.5  1.87  1<br>
T2  Si  0.1471  0.4356  0.1836  1.88  1<br>
T3  Si  0.0816  0.471  0.294  1.8  1<br>
T4  Si  0.0811  0.4703  0.0727  2.27  1<br>
T5  Si  0.1217  0.3812  0.3706  1.97  1<br>
T6  Si  0.0782  0.2904  0.2486  2.05  1<br>
O1  O  0.0993  0.3514  0.1995  3.71  1<br>
O2  O  0.0923  0.352  0.4391  4.1  1<br>
O3  O  0.1063  0.443  0.3533  3.48  1<br>
O4  O  0.1306  0.4517  0.1122  3.49  1<br>
O5  O  0.1298  0.4794  0.2351  4.37  1<br>
O6  O  0.0847  0.3203  0.3175  3.98  1<br>
O7  O  0  0.2363  0.5  3.29  1<br>
O8  O  0.1375  0.275  0.5  4.37  1<br>
O9  O  0  0.2285  0.2361  2.88  1<br>
O10  O  0  0.4158  0.879  4.33  1<br>
O11  O  0  0.4188  0.2775  3.55  1<br>
O12  O  0.0953  0.4615  0  3.76  1<br>
O13  O  0.2295  0.459  0.1903  3.45  1<br>
O14  O  0.0935  0.5468  0.3133  2.78  1<br>
O15  O  0.205  0.4101  0.3678  2.8  1<br>
O16  O  0.1293  0.2586  0.2404  2.8  1<br>
O17  O  0.0974  0.5487  0.0867  4.36  1<br>
C1  C  0.5  0  0.5  11.84  1<br>
C2  C  0.4453  0.0246  0.5  11.84  0.3333<br>
C3  C  0.5197  0.0394  0.4403  11.84  0.3333<br>
C4  C  0.66667  0.33333  0.2688  11.84  1<br>
C5  C  0.6406  0.2811  0.3088  11.84  0.3333<br>
C6  C  0.5949  0.2974  0.3129  9.67  0.3333<br>

# End of data for DAF-1_as-made<br>