#*********************************************************************************
#
# Crystallographic Information File for MCM-68 
#
# Reference : 
#   Dorset, D.L., Weston, S.C. and Dhingra, S.S.
#   J. Phys. Chem. B, 110, 2045-2050, (2006)
#
#
# CIF downloaded from the IZA-SC Database of Zeolite Structures
# Ch. Baerlocher and L.B. McCusker,
# Database of Zeolite Structures: http://www.iza-structure.org/databases/ 
#
#**********************************************************************************


data_MCM-68
_chemical_name_systematic 'MCM-68'

_cell_length_a      18.286
_cell_length_b      18.286
_cell_length_c      20.208 
_cell_angle_alpha   90 
_cell_angle_beta    90 
_cell_angle_gamma   90
_cell_formula_units_Z   1

_space_group.name_H-M_ref   'P 42/m n m'
_symmetry_space_group_name_H-M   'P 42/m n m'
_symmetry_space_group_name_Hall  '-P 4n 2n'
_space_group.IT_number  136 

 
 loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_B_iso_or_equiv
_atom_site_occupancy
Si1  Si  0.1298  0.7543  0.11  1.018455  1
Si2  Si  0.1322  0.7487  0.2685  1.018455  1
Si3  Si  0.0306  0.2148  0.074  1.018455  1
Si4  Si  0.13  0.253  0.1859  1.018455  1
Si5  Si  0.0294  0.2174  0.3124  1.018455  1
Si6  Si  0.0622  0.0622  0.1402  1.018455  1
Si7  Si  0.0622  0.0622  0.2856  1.018455  1
Si8  Si  0.1331  0.254  0.4269  1.018455  1
O1  O  0.1199  0.7447  0.1892  1.634265  1
O2  O  0.0512  0.7521  0.0735  1.634265  1
O3  O  0.1801  0.6884  0.0823  1.634265  1
O4  O  0.168  0.832  0.0944  1.634265  1
O5  O  0.0532  0.753  0.3043  1.634265  1
O6  O  0.1746  0.6762  0.2935  1.634265  1
O7  O  0.1794  0.8206  0.2869  1.634265  1
O8  O  0.0815  0.2659  0.1202  1.634265  1
O9  O  0.0641  0.2161  0  1.634265  1
O10  O  0.0293  0.1317  0.1009  1.634265  1
O11  O  0.187  0.187  0.1732  1.634265  1
O12  O  0.0751  0.231  0.2452  1.634265  1
O13  O  0.0283  0.1303  0.3264  1.634265  1
O14  O  0.0691  0.2597  0.3727  1.634265  1
O15  O  0  0  0.1464  1.634265  1
O16  O  0.0886  0.0886  0.213  1.634265  1
O17  O  0  0  0.2785  1.634265  1
O18  O  0.1919  0.1919  0.4079  1.634265  1
O19  O  0.1007  0.2412  0.5  1.634265  1

# End of data for MCM-68