#*********************************************************************************
#
# Crystallographic Information File for SSZ-44, calcined
#
# Reference :
# Wagner, P., Zones, S.I., Davis, M.E. and Medrud, R.C.
# Angew. Chem. Int. Ed., 38, 1269-1272, (1999)
#
#
# 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-44_calcined
_chemical_name_systematic 'SSZ-44, calcined'
_cell_length_a 11.4853
_cell_length_b 21.9458
_cell_length_c 7.3881
_cell_angle_alpha 90
_cell_angle_beta 94.702
_cell_angle_gamma 90
_cell_formula_units_Z 1
_space_group.name_H-M_ref 'P 1 21/m 1'
_symmetry_space_group_name_H-M 'P 1 21/m 1'
_symmetry_space_group_name_Hall '-P 2yb'
_space_group.IT_number 11
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 0.27227 0.97791 0.93601 0.01 1
Si2 Si 0.13548 0.6293 0.10193 0.01 1
Si3 Si 0.23886 0.67904 0.47825 1.12 1
Si4 Si 0.39323 0.5689 0.59794 0.15 1
Si5 Si 0.03652 0.68184 0.74254 1.27 1
Si6 Si 0.05149 0.04087 0.76211 0.91 1
Si7 Si 0.11053 0.06798 0.36508 0.01 1
Si8 Si 0.35948 0.02838 0.29204 0.31 1
O1 O 0.22578 0.91806 0.02742 0.87 1
O2 O 0.32885 0.96241 0.75474 2.61 1
O3 O 0.36382 0.01059 0.08089 2.88 1
O4 O 0.16115 0.02349 0.89856 1.28 1
O5 O 0.02146 0.59436 0.15514 0.01 1
O6 O 0.19913 0.6636 0.27348 0.77 1
O7 O 0.09682 0.67737 0.94529 3.58 1
O8 O 0.27877 0.75 0.49498 1.01 1
O9 O 0.34544 0.63729 0.55819 2.04 1
O10 O 0.13244 0.66902 0.60239 1.72 1
O11 O 0.36967 0.53179 0.41218 0.69 1
O12 O 0.53084 0.57271 0.65389 1.53 1
O13 O 0.93509 0.63319 0.70903 2.04 1
O14 O 0.98407 0.75 0.71105 2.39 1
O15 O 0.96479 0.98471 0.7338 1.16 1
O16 O 0.09791 0.06329 0.57827 0.69 1
O17 O 0.24371 0.06267 0.32726 2.88 1
# End of data for SSZ-44_calcined