#*********************************************************************************<br>
#<br>
# Crystallographic Information File for AlPO-C, dehydrated <br>
#<br>
# Reference : <br>
#   Keller, E.B., Meier, W.M. and Kirchner, R.M.<br>
#   Solid State Ionics, 43, 93-102, (1990)<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_AlPO-C_dehydrated<br>
_chemical_name_systematic 'AlPO-C, dehydrated'<br><br>

_cell_length_a      19.816<br>
_cell_length_b      10.047<br>
_cell_length_c      8.935 <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>
AL1  Al  0.455  0.16  0.36  0.3  1<br>
AL2  Al  0.297  0.423  0.197  1.5  1<br>
P1  P  0.456  0.424  0.206  2.7  1<br>
P2  P  0.293  0.145  0.346  0.3  1<br>
O1  O  0.384  0.465  0.222  9  1<br>
O2  O  0.465  0.143  0.546  0.7  1<br>
O3  O  0.5  0.539  0.238  1.5  1<br>
O4  O  0.476  0.317  0.323  0.5  1<br>
O5  O  0.28  0.11  0.506  1.3  1<br>
O6  O  0.37  0.124  0.313  5.1  1<br>
O7  O  0.278  0.284  0.297  0.1  1<br>
O8  O  0.249  0.56  0.241  3.3  1<br>

# End of data for AlPO-C_dehydrated<br>