#*********************************************************************************<br>
#<br>
# Crystallographic Information File for MAPO-39 <br>
#<br>
# Reference : <br>
#   Baur, W.H., Joswig, W., Kassner, D., Bieniok, A., Finger, G. and Kornatowski, J.<br>
#   Z. Kristallogr., 214, 154-159, (1999)<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_MAPO-39<br>
_chemical_name_systematic 'MAPO-39'<br><br>

_cell_length_a      13.2088<br>
_cell_length_b      13.2088<br>
_cell_length_c      5.2771 <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   'I 4/m'<br>
_symmetry_space_group_name_H-M   'I 4/m'<br>
_symmetry_space_group_name_Hall  '-I 4'<br>
_space_group.IT_number  87 <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>
P1  P  0.21631  0.38206  0  2.4  0.898<br>
P2  P  0.1226  0.4167  0  1.2  0.04<br>
Al1  Al  0.37846  0.20842  0  2.5  0.4495<br>
Al3+1  Al3+  0.37846  0.20842  0  2.5  0.4495<br>
Al2  Al  0.4104  0.1156  0  1.6  0.02<br>
Al2+1  Al3+  0.4104  0.1156  0  1.6  0.02<br>
O1-1  O1-  0.31508  0.32477  0  4.6  0.959<br>
O1-2  O1-  0.15488  0.35625  0.2302  6.8  1.008<br>
O1-3  O1-  0.2418  0.49346  0  4.9  0.926<br>
O1-31  O1-  0.187  0.511  0  3.3  0.04<br>
O1-32  O1-  0.517  0.19  0  3.3  0.04<br>
O1-41  O1-  0.015  0.445  0  3.3  0.04<br>
C1  C  0.5  0.5  0.743  4.3  0.37<br>
C2  C  0.449  0.522  0.5  45.8  0.82<br>
C3  C  0.4857  0.513  0  23.7  0.259<br>
C4  C  0.4676  0.0389  0  10.5  0.381<br>

# End of data for MAPO-39<br>