#*********************************************************************************<br>
#<br>
# Crystallographic Information File for Partheite <br>
#<br>
# Reference : <br>
#   Engel, N. and Yvon, K.<br>
#   Z. Kristallogr., 169, 165-175, (1984)<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_Partheite<br>
_chemical_name_systematic 'Partheite'<br><br>

_cell_length_a      21.555<br>
_cell_length_b      8.761<br>
_cell_length_c      9.304 <br>
_cell_angle_alpha   90 <br>
_cell_angle_beta    91.55 <br>
_cell_angle_gamma   90<br>
_cell_formula_units_Z   1<br>

<br>_space_group.name_H-M_ref   'C 1 2/c 1'<br>
_symmetry_space_group_name_H-M   'C 1 2/c 1'<br>
_symmetry_space_group_name_Hall  '-C 2yc'<br>
_space_group.IT_number  15 <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>
CA  Ca  0.35586  0.1991  0.0444  0.93  1<br>
SI1  Si  0.06729  0.1832  0.2896  0.53  1<br>
SI2  Si  0.23983  0.0077  0.4621  0.46  1<br>
AL1  Al  0.1161  0.0844  0.6006  0.56  1<br>
AL2  Al  0.1999  0.3162  0.2858  0.51  1<br>
O1  O  0.0695  0.0181  0.2162  0.73  1<br>
O2  O  0.0725  0.1719  0.4626  0.84  1<br>
O3  O  0.1222  0.2883  0.2295  0.89  1<br>
O4  O  0.1722  0.0363  0.025  0.86  1<br>
O5  O  0.2081  0.4669  0.4096  0.71  1<br>
O6  O  0.2345  0.155  0.3605  0.84  1<br>
O7  O  0.234  0.3599  0.1221  0.76  1<br>
O8  O  0  0.2632  0.25  0.63  1<br>
OH  O1-(OH)  0.3523  0.2673  0.2918  1.11  1<br>
H2O1  O2-(H2O)  0.0712  0.505  0.0159  2.62  1<br>
H2O2  O2-(H2O)  0.4541  0.307  0.08  1.72  1<br>

# End of data for Partheite<br>