#*********************************************************************************
#
# Crystallographic Information File for SSZ-77
#
# Reference :
# McCusker, L.B., Baerlocher, Ch., Burton, A.W. and Zones, S.I.
# Solid State Sci., 13, 800-805, (2011)
#
#
# 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-77
_chemical_name_systematic 'SSZ-77'

_cell_length_a 13.209
_cell_length_b 13.3238
_cell_length_c 21.5551
_cell_angle_alpha 90
_cell_angle_beta 123
_cell_angle_gamma 90
_cell_formula_units_Z 1

_space_group.name_H-M_ref 'C 1 2 1'
_symmetry_space_group_name_H-M 'C 1 2 1'
_symmetry_space_group_name_Hall 'C 2y'
_space_group.IT_number 5

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 0.432 0.305 0.039 0.789 1
Ge2 Ge 0.324 0.11 0.065 0.789 1
Si3 Si 0.115 0.116 0.202 0.789 1
Si4 Si 0.364 0.113 0.231 0.789 1
Si5 Si 0.08 0.242 0.311 0.789 0.65
Ge5 Ge 0.08 0.242 0.311 0.789 0.35
Si6 Si 0.314 0.364 0.402 0.789 1
Si7 Si 0.081 0.107 0.432 0.789 1
Si8 Si 0.425 0.361 0.568 0.789 0.5
Ge8 Ge 0.425 0.361 0.568 0.789 0.5
Si9 Si 0.189 0.11 0.596 0.789 0.5
Ge9 Ge 0.189 0.11 0.596 0.789 0.5
Si10 Si 0.41 0.243 0.686 0.789 1
Si11 Si 0.137 0.379 0.772 0.789 1
Si12 Si 0.396 0.382 0.799 0.789 1
Si13 Si 0.162 0.377 0.927 0.789 1
Si14 Si 0.049 0.195 0.958 0.789 0.75
Ge14 Ge 0.049 0.195 0.958 0.789 0.25
O1 O 0.5 0.315 -0.004 1.18 0.5
O2 O 0.006 0.204 0.016 1.18 0.5
O3 O 0.173 0.127 -0.006 1.18 1
O4 O 0.417 0.19 0.053 1.18 1
O5 O 0.869 0.489 0.065 1.18 1
O6 O 0.054 0.14 0.117 1.18 1
O7 O 0.336 0.135 0.15 1.18 1
O8 O 0.099 0 0.214 1.18 1
O9 O 0.253 0.141 0.238 1.18 1
O10 O 0.055 0.182 0.236 1.18 1
O11 O 0.398 -0.004 0.252 1.18 1
O12 O 0.472 0.181 0.289 1.18 1
O13 O 0.195 0.315 0.338 1.18 1
O14 O 0.112 0.161 0.378 1.18 1
O15 O 0.287 0.484 0.394 1.18 1
O16 O 0.427 0.337 0.395 1.18 1
O17 O 0.343 0.323 0.48 1.18 1
O18 O 0.175 0.145 0.516 1.18 1
O19 O 0.404 0.486 0.573 1.18 1
O20 O 0.058 0.135 0.591 1.18 1
O21 O 0.375 0.302 0.613 1.18 1
O22 O 0.305 0.166 0.668 1.18 1
O23 O 0.037 0.309 0.708 1.18 1
O24 O 0.43 0.32 0.749 1.18 1
O25 O 0.264 0.353 0.782 1.18 1
O26 O 0.142 0.358 0.847 1.18 1
O27 O 0.492 0.359 0.883 1.18 1
O28 O 0.074 0.306 0.937 1.18 1
O29 O 0.301 0.356 0.991 1.18 1
# End of data for SSZ-77