#*********************************************************************************
#
# Crystallographic Information File for SSZ-52
#
# Reference :
# Xie, D., McCusker, L.B., Baerlocher, Ch., Zones, S.I., Wan, W. ad Zou, X.
# J. Am. Chem. Soc., 135, 10519-10524, (2013)
#
#
# 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_SSZ-52
_chemical_name_systematic 'SSZ-52'
_cell_length_a 13.6373
_cell_length_b 13.6373
_cell_length_c 44.7311
_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 ''
_space_group.IT_number
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 0.9985 0.2282 0.2568 0.63 1
Si2 Si 0.997 0.2261 0.187 0.63 1
Si3 Si 0.0006 0.2282 0.0347 0.63 1
O1 O 0.9894 0.2525 0.2217 0.395 1
O2 O 0.1228 0.2456 0.2654 0.395 1
O3 O 0.9036 0.0964 0.2656 0.395 1
O4 O 0.9792 0.3151 0.2769 0.395 1
O5 O 0.9031 0.0969 0.1778 0.395 1
O6 O 0.9834 0.3168 0.1667 0.395 1
O7 O 0.1221 0.2442 0.1775 0.395 1
O8 O 0 0.259 0 0.395 1
O9 O 0.1201 0.2401 0.0449 0.395 1
O10 O 0.9025 0.0975 0.042 0.395 1
C1 C 0.7556 0.3778 0.7754 2.37 0.333
C2 C 0.6291 0.3468 0.7806 2.37 0.167
C3 C 0.6156 0.4511 0.7863 2.37 0.167
C4 C 0.8282 0.4403 0.8033 2.37 0.167
C5 C 0.7515 0.2645 0.7722 2.37 0.167
C6 C 0.6928 0.2036 0.7425 2.37 0.167
C7 C 0.6091 0.2393 0.7293 2.37 0.167
C8 C 0.5507 0.2754 0.7541 2.37 0.333
N9 N 0.6667 0.3333 0.7067 2.37 1
C10 C 0.5786 0.3345 0.6861 2.37 0.167
C11 C 0.4974 0.2173 0.6725 2.37 0.167
C12 C 0.7549 0.3231 0.6887 2.37 0.167
C13 C 0.699 0.2331 0.6638 2.37 0.167
C14 C 0.8115 0.4518 0.7469 2.37 0.167
C15 C 0.7211 0.4422 0.724 2.37 0.167
H21 H 0.603 0.302 0.7982 2.37 0.167
H31 H 0.597 0.452 0.8067 2.37 0.167
H32 H 0.685 0.519 0.7818 2.37 0.167
H33 H 0.555 0.445 0.7741 2.37 0.333
H41 H 0.794 0.397 0.8208 2.37 0.333
H42 H 0.903 0.452 0.8009 2.37 0.167
H43 H 0.833 0.512 0.8051 2.37 0.167
H51 H 0.827 0.277 0.7724 2.37 0.167
H52 H 0.711 0.217 0.7886 2.37 0.167
H61 H 0.75 0.219 0.728 2.37 0.167
H62 H 0.651 0.124 0.7462 2.37 0.167
H71 H 0.551 0.175 0.7191 2.37 0.167
H81 H 0.522 0.318 0.7448 2.37 0.167
H82 H 0.489 0.208 0.7621 2.37 0.167
H101 H 0.535 0.359 0.697 2.37 0.167
H102 H 0.615 0.385 0.6701 2.37 0.333
H111 H 0.446 0.169 0.6871 2.37 0.167
H112 H 0.457 0.229 0.6569 2.37 0.333
H113 H 0.539 0.185 0.6646 2.37 0.167
H121 H 0.805 0.394 0.6797 2.37 0.167
H122 H 0.797 0.302 0.7015 2.37 0.167
H131 H 0.735 0.265 0.6452 2.37 0.167
H132 H 0.709 0.171 0.6684 2.37 0.167
H133 H 0.621 0.209 0.6626 2.37 0.167
H141 H 0.856 0.529 0.7529 2.37 0.167
H142 H 0.86 0.43 0.7376 2.37 0.167
H151 H 0.663 0.445 0.735 2.37 0.167
H152 H 0.752 0.504 0.7105 2.37 0.167
Na1 Na 0 0 0.0777 2.37 0.75
Na2 Na 0 0 0.1488 2.37 0.25
Ow1 O 0.0778 0.1556 0.1174 2.37 1
# End of data for SSZ-52