#*********************************************************************************
#
# 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, L.B. McCusker and D.H. Brouwer
# Database of Zeolite Structures: https://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