#*********************************************************************************
#
# Crystallographic Information File for SSZ-87, as-made
#
# Reference :
# Smeets, S., McCusker, L.B., Baerlocher, Ch., Xie, D., Chen, C.-Y. and Zones, S.I.
# J. Am. Chem. Soc., 137, 2015-2020, (2015)
#
#
# 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-87_as-made
_chemical_name_systematic 'SSZ-87, as-made'
_cell_length_a 21.1877
_cell_length_b 17.8254
_cell_length_c 12.2959
_cell_angle_alpha 90
_cell_angle_beta 124.79
_cell_angle_gamma 90
_cell_formula_units_Z 1
_space_group.name_H-M_ref 'C 1 2/m 1'
_symmetry_space_group_name_H-M 'C 1 2/m 1'
_symmetry_space_group_name_Hall '-C 2y'
_space_group.IT_number 12
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 0.22493 0 0.0156 0.47 1
Si2 Si 0.37394 0 0.30351 0.47 1
Si3 Si 0.47789 0 0.1931 0.47 1
Si4 Si 0.41246 0.15552 0.44673 0.47 1
Si5 Si 0.29536 0.25563 0.21029 0.47 1
Si6 Si 0.3286 0.34059 0.03332 0.47 1
Si7 Si 0.45115 0.24517 0.05263 0.47 0.809
Si8 Si 0.16884 0.34395 0.18376 0.47 0.682
Si9 Si 0.06804 0.34492 0.28594 0.47 1
Si10 Si 0.17276 0.5 0.0966 0.47 1
O1 O 0.28823 0 0.1722 1 1
O2 O 0.38572 0.07319 0.3875 1 1
O3 O 0.435 0 0.26626 1 1
O4 O 0.41313 0 0.0361 1 1
O5 O 0.36584 0.21766 0.3375 1 1
O6 O 0.5 0.167 0.5 1 1
O7 O 0.24414 0.29644 0.2497 1 1
O8 O 0.32892 0.31638 0.15956 1 1
O9 O 0.24555 0.19199 0.1015 1 1
O10 O 0.3294 0.4291 0.0251 1 1
O11 O 0.40642 0.31495 0.0518 1 1
O12 O 0.5 0.2689 0 1 1
O13 O 0.1899 0.42762 0.185 1 1
O14 O 0.13767 0.336 0.27152 1 1
O15 O 0.10695 0.31828 0.038 1 1
O16 O 0.00486 0.28179 0.1992 1 1
O17 O 0.09948 0.3322 0.43731 1 1
O18 O 0.03198 0.42725 0.24 1 1
O19 O 0.23355 0.5 0.0594 1 1
B7 B 0.45115 0.24517 0.05263 0.47 0.191
B8 B 0.16884 0.34395 0.18376 0.47 0.318
N1 N 0.37725 0.46026 0.5996 6.6 0.5
C1 C 0.471 0.55186 0.4372 6.6 0.5
C2 C 0.4423 0.4736 0.3798 6.6 0.5
C3 C 0.49054 0.43058 0.6073 6.6 0.5
C4 C 0.46289 0.4729 0.6806 6.6 0.5
C5 C 0.35458 0.4659 0.4588 6.6 0.5
C6 C 0.4208 0.42991 0.4608 6.6 0.5
C7 C 0.35992 0.38121 0.6257 6.6 0.5
C8 C 0.32891 0.3869 0.709 6.6 0.5
C9 C 0.33735 0.5182 0.6303 6.6 0.5
C10 C 0.3283 0.59091 0.5579 6.6 0.5
C11 C 0.38545 0.5345 0.7804 6.6 0.5
H1A H 0.4474 0.5963 0.39 7.9 0.5
H2A H 0.3991 0.479 0.2898 7.9 0.5
H3A H 0.5054 0.3809 0.639 7.9 0.5
H4A H 0.488 0.4568 0.7708 7.9 0.5
H4B H 0.4734 0.524 0.6796 7.9 0.5
H5A H 0.3512 0.514 0.4342 7.9 0.5
H5B H 0.3083 0.4415 0.4003 7.9 0.5
H6A H 0.408 0.38 0.429 7.9 0.5
H7A H 0.4054 0.3527 0.671 7.9 0.5
H7B H 0.3231 0.356 0.546 7.9 0.5
H8A H 0.2751 0.3894 0.6525 7.9 0.5
H8B H 0.3441 0.3461 0.7634 7.9 0.5
H8C H 0.3482 0.4306 0.7614 7.9 0.5
H9A H 0.2867 0.5 0.6009 7.9 0.5
H10A H 0.3036 0.6283 0.58 9.95 0.5
H10B H 0.3782 0.6096 0.583 9.95 0.5
H10C H 0.2984 0.5798 0.468 9.95 0.5
H11A H 0.4365 0.55 0.8099 9.95 0.5
H11B H 0.3607 0.5733 0.7968 9.95 0.5
H11C H 0.39 0.49 0.8292 9.95 0.5
# End of data for SSZ-87_as-made