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# Crystallographic Information File for SU-32
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# Reference :
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# , , , ()
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# 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_SU-32
_chemical_name_systematic 'SU-32'
_cell_length_a 12.2635
_cell_length_b 12.2635
_cell_length_c 30.2527
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_formula_units_Z 1
_space_group.name_H-M_ref 'P 61 2 2'
_symmetry_space_group_name_H-M 'P 61 2 2'
_symmetry_space_group_name_Hall 'P 61 2 (0 0 -1)'
_space_group.IT_number 178
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
Ge1 Ge 0.70471 0.38082 0.03344 1.4 0.684
Si1 Si 0.70471 0.38082 0.03344 1.402 0.32
Ge2 Ge 0.52888 0.4169 -0.03266 1.3 0.645
Si2 Si 0.52888 0.4169 -0.03266 1.3 0.35
Ge3 Ge 0.29888 0.39598 -0.14961 1.31 0.572
Si3 Si 0.29888 0.39598 -0.14961 1.31 0.43
Ge4 Ge 0.2461 0.33482 -0.04819 1.18 0.558
Si4 Si 0.2461 0.33482 -0.04819 1.18 0.44
Ge5 Ge -0.03153 0.11936 -0.03335 1.14 0.179
Si5 Si -0.03153 0.11936 -0.03335 1.14 0.82
O1 O -0.0821 0 0 3.34 1
O2 O 0.5747 0.3345 0.00054 2.77 1
O3 O 0.12 0.2044 -0.02646 2.64 1
O4 O -0.0663 0.0663 -0.0833 3.32 1
O5 O -0.0979 0.2038 -0.0241 3 1
O6 O 0.6438 0.3219 0.0833 4.97 1
O7 O 0.3693 0.324 -0.03127 5.29 1
O8 O 0.7711 0.3024 0.00996 5.13 1
O9 O 0.7828 0.5368 0.0287 6.16 1
O10 O 0.229 0.322 -0.10301 6.71 1
O11 O 0.5884 0.5604 -0.0094 7.1 1
O12 O 0.5848 0.4152 -0.0833 6 1
F1 F 0.9016 0.4508 0.0833 8.37 1
C1 C 0.972 0.4287 -0.1144 7.34 0.5
H1A H 0.9955 0.4021 -0.1408 10.98 0.5
H1B H 0.8878 0.3668 -0.1062 10.98 0.5
H1C H 0.0289 0.438 -0.091 10.98 0.5
C2 C 0.978 0.5516 -0.1226 8.45 0.5
H2 H 0.0703 0.6037 -0.1206 10.18 0.5
C3 C 0.952 0.612 -0.0912 7.18 0.5
H3A H 0.9617 0.6889 -0.103 10.75 0.5
H3B H 0.0093 0.6311 -0.0668 10.75 0.5
H3C H 0.8675 0.5596 -0.0811 10.75 0.5
N1 N 0.9685 0.5804 -0.1681 14.3 0.5
H1D H 0.9891 0.5353 -0.1857 21.4 0.5
H1E H 0.0205 0.662 -0.173 21.4 0.5
H1F H 0.8898 0.5617 -0.1737 21.4 0.5
# End of data for SU-32