#*********************************************************************************
#
# Crystallographic Information File for CoAPO-CJ69
#
# Reference :
# Liu, Z., Song, X., Li, J., Li, Y., Yu, J. and Xu, R.
# Inorg. Chem., 51, 1969-1974, (2012)
#
#
# 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_CoAPO-CJ69
_chemical_name_systematic 'CoAPO-CJ69'

_cell_length_a 8.9024
_cell_length_b 14.2796
_cell_length_c 15.0637
_cell_angle_alpha 90
_cell_angle_beta 95.068
_cell_angle_gamma 90
_cell_formula_units_Z 1

_space_group.name_H-M_ref 'P 1 21/c 1'
_symmetry_space_group_name_H-M 'P 1 21/c 1'
_symmetry_space_group_name_Hall '-P 2ybc'
_space_group.IT_number 14

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 0.82257 0.05886 0.24323 1.71 0.494
Al1 Al 0.82257 0.05886 0.24323 1.71 0.506
Co2 Co 0.61917 -0.0602 -0.09068 1.61 0.211
Al2 Al 0.61917 -0.0602 -0.09068 1.61 0.789
Co3 Co 0.63958 0.07044 -0.38532 1.69 0.151
Al3 Al 0.63958 0.07044 -0.38532 1.69 0.849
Co4 Co 0.42598 0.21385 -0.66416 1.88 0.142
Al4 Al 0.42598 0.21385 -0.66416 1.88 0.858
P4 P 0.60091 0.28166 -0.33783 1.54 1
P3 P 0.64094 0.05539 -0.58707 1.68 1
P2 P 0.64951 -0.08051 0.11125 1.68 1
P1 P 0.81206 -0.06628 -0.25415 1.62 1
O16 O 0.7006 -0.0547 0.02001 2.9 1
O15 O 0.6997 0.0387 -0.49041 2.64 1
O14 O 0.5031 0.0372 -0.1216 3.17 1
O13 O 0.7694 -0.0638 -0.15948 3.3 1
O12 O 0.7657 -0.0477 0.1836 3.47 1
O11 O 0.7648 0.0246 -0.30116 3.13 1
O10 O 0.7753 0.0648 0.3593 3.16 1
O9 O 0.5464 0.1449 -0.5912 3.21 1
O8 O 0.6358 -0.18648 0.1149 3.6 1
O7 O 0.5449 -0.0265 -0.6227 3.2 1
O6 O 0.6451 0.19226 -0.3825 3.23 1
O5 O 0.5304 0.2557 -0.2534 3.65 1
O4 O 0.742 0.1617 0.1822 3.66 1
O3 O 0.5107 -0.1652 -0.1004 3.29 1
O2 O 1.0216 0.0798 0.252 4.65 1
O1 O 0.2664 0.1477 -0.6971 3.47 1
N1 N 0.989 0.192 0.0476 11.37 0.5
N1' N 1.013 0.3026 -0.0488 11.84 0.5
C1 C 0.8732 0.1777 -0.1126 14.69 1
C2 C 0.914 0.1423 -0.0334 10.58 0.5
C2' C 0.943 0.2159 -0.0447 8.53 0.5
C3 C 1.046 0.28 0.0361 15.32 0.5
C3' C 1.087 0.3442 0.0376 17.37 0.5
C4 C 1.1054 0.32 0.1186 13.26 1
# End of data for CoAPO-CJ69