#*********************************************************************************
#
# Crystallographic Information File for Decadodecasil 3R, as-made
#
# Reference :
# Gies, H.
# Z. Kristallogr., 175, 93-104, (1986)
#
#
# 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/
#
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data_Decadodecasil_3R_as-made
_chemical_name_systematic 'Decadodecasil 3R, as-made'
_cell_length_a 13.86
_cell_length_b 13.86
_cell_length_c 40.891
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_formula_units_Z 1
_space_group.name_H-M_ref 'R -3 m'
_symmetry_space_group_name_H-M 'R -3 m'
_symmetry_space_group_name_Hall '-R 3 2"'
_space_group.IT_number 166
_space_group.IT_coordinate_system_code 'H'
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 0.7267 0.0511 0.07 0.76 1
SI2 Si 0.1264 0.2527 0.1095 0.76 1
SI3 Si 0.202 0.4039 0.1711 0.2 1
SI4 Si 0.1227 0.2454 0.2325 0.6 1
SI5 Si 0.2256 0 0 0.82 1
SI6 Si 0 0 0.2039 1.53 1
SI7 Si 0 0 0.128 0.87 1
O1 O 0.3576 0.3881 0.6358 2.37 1
O2 O 0.2792 0.3749 0.5768 1.45 1
O3 O 0.4067 0.2954 0.5889 1.96 1
O4 O 0.2277 0.4554 0.6589 3.76 1
O5 O 0.1767 0.3534 0.7447 2.24 1
O6 O 0.3233 0.1616 0.5391 3.01 1
O7 O 0.5401 0.27 0.5494 3.7 1
O8 O 0.2713 0.5426 0.5529 2.49 1
O9 O 0.178 0.3561 0.523 3.33 1
O10 O 0.187 0 0.5 1.65 1
O11 O 0 0 0.1661 4.47 1
C512 C 0.5 0 0.5 15.112 1
N1 N 0 0 0.4455 40.908 0.9
C1 C 0 0 0.4095 37.228 0.9
C2 C 0.0596 0.1192 0.3954 14.915 0.9
C3 C 0.0596 0.1192 0.3577 28.274 0.9
C4 C 0.1192 0.0596 0.3438 14.654 0.9
N11 N 0 0 0.2815 15.728 0.1
C11 C 0 0 0.3175 23.237 0.1
C21 C 0.0596 0.1192 0.3317 8.598 0.1
C31 C 0.0596 0.1192 0.3694 4.461 0.1
C41 C 0.1192 0.0596 0.3833 15.404 0.1
# End of data for Decadodecasil_3R_as-made