#*********************************************************************************<br>
#<br>
# Crystallographic Information File for Bellbergite <br>
#<br>
# Reference : <br>
#   R&uuml;dinger, B., Tillmanns, E. and Hentschel, G.<br>
#   Miner. Petrol., 48, 147-152, (1993)<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_Bellbergite<br>
_chemical_name_systematic 'Bellbergite'<br><br>

_cell_length_a      13.244<br>
_cell_length_b      13.244<br>
_cell_length_c      15.988 <br>
_cell_angle_alpha   90 <br>
_cell_angle_beta    90 <br>
_cell_angle_gamma   120<br>
_cell_formula_units_Z   1<br>

<br>_space_group.name_H-M_ref   'P 63/m m c'<br>
_symmetry_space_group_name_H-M   'P 63/m m c'<br>
_symmetry_space_group_name_Hall  '-P 6c 2c'<br>
_space_group.IT_number  194 <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>
K1  K  0.105  0.21  0.25  5  0.3333<br>
Ca1  Ca  0  0  0  0.5  1<br>
Ca2  Ca  0.33333  0.66667  0.13  6.9  1<br>
Sr1  Sr  0.33333  0.66667  0.9119  2.4  0.5<br>
Si1  Si  0.4215  0.3313  0.1538  1.09  0.5125<br>
Si2  Si  0.2476  0  0  0.36  0.5125<br>
Al1  Al  0.4215  0.3313  0.1538  1.09  0.4875<br>
Al2  Al  0.2476  0  0  0.36  0.4875<br>
O1  O  0.1127  0.225  0.003  0.5  1<br>
O2  O  0.6818  0  0.9158  1.2  1<br>
O3  O  0.958  0.327  0.25  2.1  1<br>
O4  O  0.2295  0.459  0.864  1.6  1<br>
O5  O  0.459  0.918  0.862  1.8  1<br>
H2O1  O2-(H2O)  0.33333  0.66667  0.75  5  1<br>
H2O2  O2-(H2O)  0.413  0.826  0.25  3.5  1<br>
H2O3  O2-(H2O)  0.587  0.174  0.965  3  0.5<br>
H2O4  O2-(H2O)  0.218  0.436  0.159  3.6  1<br>
H2O5  O2-(H2O)  0  0  0.643  1.4  1<br>

# End of data for Bellbergite<br>