#*********************************************************************************<br>
#<br>
# Crystallographic Information File for CoAPO-CJ62 <br>
#<br>
# Reference : <br>
#   Shao, L., Li, Y., Yu, J. and Xu, R.<br>
#   Inorg. Chem., 51, 225-229, (2012)<br>
#<br>
#<br>
# CIF downloaded from the IZA-SC Database of Zeolite Structures<br>
# Ch. Baerlocher, L.B. McCusker and D.H. Brouwer<br>
# Database of Zeolite Structures: https://www.iza-structure.org/databases/ <br>
#<br>
#**********************************************************************************<br>


data_CoAPO-CJ62<br>
_chemical_name_systematic 'CoAPO-CJ62'<br><br>

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

<br>_space_group.name_H-M_ref   'P b c a'<br>
_symmetry_space_group_name_H-M   'P b c a'<br>
_symmetry_space_group_name_Hall  '-P 2ac 2ab'<br>
_space_group.IT_number  61 <br>
<br>
 
 loop_<br>
_atom_site_label<br>
_atom_site_type_symbol<br>
_atom_site_fract_x<br>
_atom_site_fract_y<br>
_atom_site_fract_z<br>
_atom_site_B_iso_or_equiv<br>
_atom_site_occupancy<br>
Co1  Co  0.21294  1.02681  0.08574  1.64231  0.576<br>
Al1  Al  0.21294  1.02681  0.08574  1.64231  0.424<br>
Co2  Co  -0.00743  0.86531  0.18872  1.77653  0.424<br>
Al2  Al  -0.00743  0.86531  0.18872  1.77653  0.576<br>
Al3  Al  0.26005  1.20576  0.3112  1.24752  1<br>
P1  P  0.3252  0.95085  0.39992  1.4686  1<br>
P2  P  0.16119  0.73701  0.14511  1.6581  1<br>
P3  P  0.09519  1.12478  0.22458  1.40543  1<br>
O1  O  0.189  1.0687  -0.0148  4.94271  1<br>
O2  O  0.3199  1.0962  0.1114  3.38726  1<br>
O3  O  0.2175  0.8429  0.1079  3.65571  1<br>
O4  O  0.126  1.1118  0.1409  2.53452  1<br>
O5  O  0.0682  0.7688  0.13  2.88193  1<br>
O6  O  0.1742  0.7361  0.2331  3.69519  1<br>
O7  O  -0.0493  0.7604  0.2681  2.69243  1<br>
O8  O  -0.0858  0.9119  0.1189  4.20051  1<br>
O9  O  0.037  1.006  0.2456  2.44767  1<br>
O10  O  0.1687  1.1212  0.2822  2.70823  1<br>
O11  O  0.3092  1.0993  0.3787  3.03195  1<br>
O12  O  0.2639  0.8607  0.3552  2.9451  1<br>
C1  C  0.4373  1.0051  -0.0424  5.29012  1<br>
C2  C  0.4047  0.874  -0.0048  4.89533  0.5<br>
C3  C  0.4667  1.134  -0.0768  6.2376  0.5<br>
N4  N  0.4285  0.8484  0.0611  4.65846  0.25<br>
C4  C  0.4285  0.8484  0.0611  4.65846  0.25<br>
N5  N  0.5112  1.2134  -0.0323  6.86926  0.25<br>
C5  C  0.5112  1.2134  -0.0323  6.86926  0.25<br>
N6  N  0.4626  0.9775  0.0278  2.84245  0.25<br>
N61  N  0.4775  1.079  0.0014  4.65846  0.25<br>

# End of data for CoAPO-CJ62<br>