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#
# Crystallographic Information File for CoAPO-CJ40
#
# Reference :
# Song, X.W., Li, Y., Gan, L., Wang, Z.P., Yu, J.H. and Xu, R.R
# Angew. Chem. Int. Ed., 48, 314-317, (2009)
#
#
# 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_CoAPO-CJ40
_chemical_name_systematic 'CoAPO-CJ40'
_cell_length_a 8.2319
_cell_length_b 9.165
_cell_length_c 17.58
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_formula_units_Z 1
_space_group.name_H-M_ref 'P 21 21 2'
_symmetry_space_group_name_H-M 'P 21 21 2'
_symmetry_space_group_name_Hall 'P 2 2ab'
_space_group.IT_number 18
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
Co1 Co 0.6387 -0.8688 0.0661 2.92 1
Al1 Al 0.6387 -0.8688 0.0661 2.92 1
Al2 Al 0.0603 -0.0878 0.0316 1.82 1
Al3 Al 0.9426 -0.0853 0.333 0.87 1
P1 P 0.6335 -0.1311 0.4288 2.13 1
P2 P 0.4293 -0.0905 -0.0268 2.05 1
P3 P 0.9359 -0.9154 0.1727 1.89 1
O1 O 0.5357 -0.0331 0.036 3.87 1
O2 O 0.4857 -0.242 -0.0495 4.18 1
O3 O 0.2554 -0.0979 0.0011 3.79 1
O4 O 0.0486 -0.9877 0.1146 3 1
O5 O 0.9925 -0.7587 0.1826 4.58 1
O6 O 0.7616 -0.9211 0.1459 3.95 1
O7 O 0.9519 -0.9892 0.2483 3.95 1
O8 O 0.0662 -0.0051 0.4024 3.55 1
O9 O 0.7348 -0.087 0.3598 2.84 1
O10 O 0.5555 -0.9943 0.4614 3.87 1
O11 O 0.7385 -0.205 0.4888 3 1
O12 O 0.5018 -0.2332 0.4001 4.18 1
N1 N 0.506 0.507 0.253 16.58 1
C1 C 0.531 0.738 0.201 10.19 1
C2 C 0.635 0.604 0.22 6.16 1
C3 C 0.64 0.413 0.2783 5.84 1
C4 C 0.545 0.278 0.302 11.84 1
# End of data for CoAPO-CJ40