#*********************************************************************************<br>
#<br>
# Crystallographic Information File for Rho, Berylloarsenate, deuterated <br>
#<br>
# Reference : <br>
#   Parise, J.B., Corbin, D.R., Gier, T.E., Harlow, R.L., Abrams, L. and Von Dreele, R.B.<br>
#   Zeolites, 12, 360-368, (1992)<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_Berylloarsenate_deuterated<br>
_chemical_name_systematic 'Rho, Berylloarsenate, deuterated'<br><br>

_cell_length_a      14.001<br>
_cell_length_b      14.001<br>
_cell_length_c      14.001 <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 2 3'<br>
_symmetry_space_group_name_H-M   'I 2 3'<br>
_symmetry_space_group_name_Hall  'I 2 2 3'<br>
_space_group.IT_number  197 <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>
RB1  Rb  0.5  0  0  4.89  1<br>
RB2  Rb  0.1903  0.1903  0.1903  7.74  1<br>
RB3  Rb  0.3716  0.3716  0.3716  7.74  0.87<br>
RB4  Rb  0.244  0  0  7.74  0.25<br>
BE1  Be  0.2173  0.9311  0.3717  4.34  1<br>
AS1  As  0.27446  0.12749  0.42737  0.79  1<br>
O1  O  0.2296  0.2349  0.3988  1.5  1<br>
O2  O  0.3882  0.1265  0.3899  0.95  1<br>
O3  O  0.2852  0.1055  0.5429  4.42  1<br>
O4  O  0.2094  0.0467  0.3679  1.34  1<br>
D2O1  O2-(D2O)  0.244  0  0  4.74  0.1<br>
D2O2  O2-(D2O)  0.066  0.066  0.066  4.74  0.23<br>
D2O3  O2-(D2O)  0.441  0.441  0.441  4.74  0.07<br>

# End of data for Rho_Berylloarsenate_deuterated<br>