#*********************************************************************************<br>
#<br>
# Crystallographic Information File for MCM-61 <br>
#<br>
# Reference : <br>
#   Shantz, D.F., Burton, A. and Lobo, R.F.<br>
#   Microporous Mesoporous Mat., 31, 61-73, (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_MCM-61<br>
_chemical_name_systematic 'MCM-61'<br><br>

_cell_length_a      17.227<br>
_cell_length_b      17.227<br>
_cell_length_c      19.3064 <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   'R -3 m'<br>
_symmetry_space_group_name_H-M   'R -3 m'<br>
_symmetry_space_group_name_Hall  '-R 3 2"'<br>
_space_group.IT_number  166 <br>
_space_group.IT_coordinate_system_code  'H'<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  -0.0002  0.1797  0.2725  0.58  1<br>
Si2  Si  0.0002  0.1795  0.1129  0.58  1<br>
Si3  Si  0  0.3073  0  0.58  1<br>
O1  O  0.093  0.1861  0.295  1.43  1<br>
O2  O  0.9232  0.0768  0.2889  1.43  1<br>
O3  O  0.9845  0.2469  0.32  1.43  1<br>
O4  O  -0.0012  0.2058  0.1927  1.43  1<br>
O5  O  0.0755  0.151  0.1005  1.43  1<br>
O6  O  0.0205  0.2648  0.0667  1.43  1<br>
O7  O  0.9044  0.0955  0.09  1.43  1<br>
K1  K  -0.6667  -0.3333  0.2355  6.59  0.5<br>
K2  K  0  0  0.0057  6.9  0.344<br>
K3  K  -0.6667  -0.3333  0.2829  1.7  0.167<br>
C1  C  0.5504  -0.2694  0.1662  10  1<br>
O8  O  -0.5198  -0.3338  0.1231  9.86  0.5<br>
H1  H  -0.5346  -0.0692  0.1486  12  4<br>

# End of data for MCM-61<br>