#*********************************************************************************
#
# Crystallographic Information File for CoAPO-CJ62
#
# Reference :
# Shao, L., Li, Y., Yu, J. and Xu, R.
# Inorg. Chem., 51, 225-229, (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-CJ62
_chemical_name_systematic 'CoAPO-CJ62'

_cell_length_a 15.8674
_cell_length_b 9.7437
_cell_length_c 17.1201
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_formula_units_Z 1

_space_group.name_H-M_ref 'P b c a'
_symmetry_space_group_name_H-M 'P b c a'
_symmetry_space_group_name_Hall '-P 2ac 2ab'
_space_group.IT_number 61

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 0.21294 1.02681 0.08574 1.64231 0.576
Al1 Al 0.21294 1.02681 0.08574 1.64231 0.424
Co2 Co -0.00743 0.86531 0.18872 1.77653 0.424
Al2 Al -0.00743 0.86531 0.18872 1.77653 0.576
Al3 Al 0.26005 1.20576 0.3112 1.24752 1
P1 P 0.3252 0.95085 0.39992 1.4686 1
P2 P 0.16119 0.73701 0.14511 1.6581 1
P3 P 0.09519 1.12478 0.22458 1.40543 1
O1 O 0.189 1.0687 -0.0148 4.94271 1
O2 O 0.3199 1.0962 0.1114 3.38726 1
O3 O 0.2175 0.8429 0.1079 3.65571 1
O4 O 0.126 1.1118 0.1409 2.53452 1
O5 O 0.0682 0.7688 0.13 2.88193 1
O6 O 0.1742 0.7361 0.2331 3.69519 1
O7 O -0.0493 0.7604 0.2681 2.69243 1
O8 O -0.0858 0.9119 0.1189 4.20051 1
O9 O 0.037 1.006 0.2456 2.44767 1
O10 O 0.1687 1.1212 0.2822 2.70823 1
O11 O 0.3092 1.0993 0.3787 3.03195 1
O12 O 0.2639 0.8607 0.3552 2.9451 1
C1 C 0.4373 1.0051 -0.0424 5.29012 1
C2 C 0.4047 0.874 -0.0048 4.89533 0.5
C3 C 0.4667 1.134 -0.0768 6.2376 0.5
N4 N 0.4285 0.8484 0.0611 4.65846 0.25
C4 C 0.4285 0.8484 0.0611 4.65846 0.25
N5 N 0.5112 1.2134 -0.0323 6.86926 0.25
C5 C 0.5112 1.2134 -0.0323 6.86926 0.25
N6 N 0.4626 0.9775 0.0278 2.84245 0.25
N61 N 0.4775 1.079 0.0014 4.65846 0.25
# End of data for CoAPO-CJ62