#*********************************************************************************<br>
#<br>
# Crystallographic Information File for Rho, hydrated <br>
#<br>
# Reference : <br>
#   McCusker, L.B. and Baerlocher, Ch.<br>
#   Proc. 6th Int. Zeolite Conf., , pp. 812-822, (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_Rho_hydrated<br>
_chemical_name_systematic 'Rho, hydrated'<br><br>

_cell_length_a      15.031<br>
_cell_length_b      15.031<br>
_cell_length_c      15.031 <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   'I m -3 m'<br>
_symmetry_space_group_name_H-M   'I m -3 m'<br>
_symmetry_space_group_name_Hall  '-I 4 2 3'<br>
_space_group.IT_number  229 <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>
NA1  Na  0.2768  0.2768  0.2768  6.3  0.18<br>
CS1  Cs  0  0  0.3554  0.3  0.26<br>
SI1  Si  0.25  0.1042  0.3958  3.2  0.749<br>
AL1  Al  0.25  0.1042  0.3958  3.2  0.251<br>
O1  O  0.2107  0  0.3834  5.6  1<br>
O2  O  0.1652  0.1652  0.3654  5.6  1<br>
H2O1  O2-(H2O)  0.0749  0.2096  0.2096  5.5  0.204<br>
H2O2  O2-(H2O)  0.0542  0.0542  0.2756  15  0.504<br>
H2O3  O2-(H2O)  0.0636  0.118  0.1735  15  0.305<br>
H2O4  O2-(H2O)  0  0  0.4295  15  0.717<br>
H2O5  O2-(H2O)  0  0  0  15  0.7<br>

# End of data for Rho_hydrated<br>