#*********************************************************************************
#
# Crystallographic Information File for MCM-70
#
# Reference :
# Xie, D., McCusker, L.B., Barlocher, Ch., Gibson, L., Burton, A.W. and Hwang, S.-J.
# J. Phys. Chem. C, 113, 9845-9850, (2009)
#
#
# 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-70
_chemical_name_systematic 'MCM-70'
_cell_length_a 13.3167
_cell_length_b 4.6604
_cell_length_c 8.7
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_formula_units_Z 1
_space_group.name_H-M_ref 'P m n 21'
_symmetry_space_group_name_H-M 'P m n 21'
_symmetry_space_group_name_Hall 'P 2ac -2'
_space_group.IT_number 31
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 0.2051 0.6366 0.3318 1.11 1
Si2 Si 0.2977 0.1346 0.1726 1.11 1
Si3 Si 0.5 0.5817 -0.084 1.11 1
B4 B 0 0.918 0.603 1.11 1
O1 O 0.0944 0.512 0.315 0.71 1
O2 O 0.2135 0.896 0.208 0.71 1
O3 O 0.5 0.923 -0.043 0.71 1
O4 O 0.2886 0.407 0.294 0.71 1
O5 O 0.2733 0.251 0 0.71 1
O6 O 0.4101 0.007 0.194 0.71 1
O7 O 0.5 0.402 0.07 0.71 1
K1 K 0 0.477 -0.107 4.26 0.58
K2 K 0 0.045 0.112 4.26 0.42
Ow2 O 0 0.477 -0.107 4.26 0.42
Ow1 O 0 0.045 0.112 4.26 0.58
# End of data for MCM-70