#*********************************************************************************
#
# Crystallographic Information File for Dodecasil 1H, as-made
#
# Reference :
# Gerke, H. and Gies, H.
# Z. Kristallogr., 166, 11-22, (1984)
#
#
# 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_Dodecasil_1H_as-made
_chemical_name_systematic 'Dodecasil 1H, as-made'
_cell_length_a 13.783
_cell_length_b 13.783
_cell_length_c 11.19
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_formula_units_Z 1
_space_group.name_H-M_ref 'P 6/m m m'
_symmetry_space_group_name_H-M 'P 6/m m m'
_symmetry_space_group_name_Hall '-P 6 2'
_space_group.IT_number 191
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 0.4186 0.2093 0.2252 2.12 1
SI2 Si 0.3868 0 0.3627 2.36 1
SI3 Si 0.2628 0.1314 0 1.63 1
SI4 Si 0.3333 0.6667 0.1384 1.95 1
O1 O 0.1052 0.3933 0.3031 6.49 1
O2 O 0.5429 0.2715 0.8164 5.56 1
O3 O 0.3405 0.1702 0.1139 4.38 1
O4 O 0.3601 0 0.5 4.49 1
O5 O 0.1865 0 0 4 1
O6 O 0.5 0 0.3451 7.25 1
O7 O 0.3333 0.6667 0 10.14 1
C1 C 0.333 0.667 0.356 10.26 0.1
C2 C 0.381 0.762 0.402 10.26 0.1
C3 C 0.309 0.618 0.436 10.26 0.1
C4 C 0.23 0.76 0.5 10.26 0.1
C5 C 0 0.5 0.036 10.26 0.1
C6 C 0.092 0.636 0 10.26 0.1
C7 C 0.122 0.531 0 10.26 0.1
C8 C 0 0.431 0 10.26 0.1
C9 C 0.14 0.57 0.122 10.26 0.1
C10 C 0 0 0.296 10.26 0.1
C11 C 0.038 0.01 0.38 10.26 0.1
C12 C 0.04 0.08 0.458 10.26 0.1
C13 C 0.041 0.082 0.316 10.26 0.1
C14 C 0.085 0 0.398 10.26 0.1
C15 C 0 0 0.049 10.26 0.1
C16 C 0.199 0.398 0.462 10.26 0.1
# End of data for Dodecasil_1H_as-made