#*********************************************************************************<br>
#<br>
# Crystallographic Information File for EMC-2, partially dehydrated <br>
#<br>
# Reference : <br>
#   Baerlocher, Ch., McCusker, L.B. and Chiappetta, R.<br>
#   Microporous Materials, 2, 269-280, (1994)<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_EMC-2_partially_dehydrated<br>
_chemical_name_systematic 'EMC-2, partially dehydrated'<br><br>

_cell_length_a      17.3741<br>
_cell_length_b      17.3741<br>
_cell_length_c      28.3646 <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 63/m m c'<br>
_symmetry_space_group_name_H-M   'P 63/m m c'<br>
_symmetry_space_group_name_Hall  '-P 6c 2c'<br>
_space_group.IT_number  194 <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  0.37  0.096  0.018  1.34  0.792<br>
AL1  Al  0.37  0.096  0.018  1.34  0.208<br>
SI2  Si  0.429  0.037  0.108  1.34  0.792<br>
AL2  Al  0.429  0.037  0.108  1.34  0.208<br>
SI3  Si  0.488  0.155  -0.07  1.34  0.792<br>
AL3  Al  0.488  0.155  -0.07  1.34  0.208<br>
SI4  Si  0.489  0.154  0.195  1.34  0.792<br>
AL4  Al  0.489  0.154  0.195  1.34  0.208<br>
O1  O  0.459  0.13  -0.015  1.11  1<br>
O2  O  0.288  0  0  1.11  1<br>
O3  O  0.333  0.167  0.015  1.11  1<br>
O4  O  0.396  0.088  0.073  1.11  1<br>
O5  O  0.427  0.069  0.162  1.11  1<br>
O6  O  0.361  -0.071  0.105  1.11  1<br>
O7  O  0.531  0.063  0.093  1.11  1<br>
O8  O  0.473  0.236  -0.087  1.11  1<br>
O9  O  0.594  0.188  -0.075  1.11  1<br>
O10  O  0.478  0.239  0.179  1.11  1<br>
O11  O  0.592  0.183  0.186  1.11  1<br>
O12  O  0.46  0.127  0.25  1.11  1<br>
O13  O  0.409  0.591  0.25  4.97  1<br>
O14  O  0.561  0.781  0.205  4.97  0.5<br>
O15  O  0.103  0.206  0.094  4.97  0.5<br>
O16  O  0.17  0.085  0.137  4.97  0.5<br>
C1  C  0.498  0.63  0.235  4.97  0.75<br>
C2  C  0.511  0.689  0.192  4.97  0.75<br>
C3  C  0.176  0.19  0.149  4.97  1<br>
H2O1  O2-(H2O)  0.717  0.283  0.073  4.97  0.667<br>
H2O2  O2-(H2O)  0.333  -0.333  0.003  4.97  0.65<br>
H2O3  O2-(H2O)  0.106  0.007  0.044  4.97  0.5<br>
Na1  Na  0.333  0.667  0.111  3  0.5<br>
Na2  Na  0.667  0.333  0.156  3  0.5<br>
Na3  Na  0.344  0.172  0.11  3  0.5<br>
Na4  Na  0  0  0.132  3  0.5<br>
Na5  Na  0.333  0.667  0.25  3  1<br>
Na6  Na  -0.404  0.192  0.034  3  0.5<br>

# End of data for EMC-2_partially_dehydrated<br>