#*********************************************************************************
#
# Crystallographic Information File for Rho, Berylloarsenate, deuterated
#
# Reference :
# Parise, J.B., Corbin, D.R., Gier, T.E., Harlow, R.L., Abrams, L. and Von Dreele, R.B.
# Zeolites, 12, 360-368, (1992)
#
#
# CIF downloaded from the IZA-SC Database of Zeolite Structures
# Ch. Baerlocher, L.B. McCusker and D.H. Brouwer
# Database of Zeolite Structures: https://www.iza-structure.org/databases/
#
#**********************************************************************************
data_Rho_Berylloarsenate_deuterated
_chemical_name_systematic 'Rho, Berylloarsenate, deuterated'

_cell_length_a 14.001
_cell_length_b 14.001
_cell_length_c 14.001
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_formula_units_Z 1

_space_group.name_H-M_ref 'I 2 3'
_symmetry_space_group_name_H-M 'I 2 3'
_symmetry_space_group_name_Hall 'I 2 2 3'
_space_group.IT_number 197

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_B_iso_or_equiv
_atom_site_occupancy
RB1 Rb 0.5 0 0 4.89 1
RB2 Rb 0.1903 0.1903 0.1903 7.74 1
RB3 Rb 0.3716 0.3716 0.3716 7.74 0.87
RB4 Rb 0.244 0 0 7.74 0.25
BE1 Be 0.2173 0.9311 0.3717 4.34 1
AS1 As 0.27446 0.12749 0.42737 0.79 1
O1 O 0.2296 0.2349 0.3988 1.5 1
O2 O 0.3882 0.1265 0.3899 0.95 1
O3 O 0.2852 0.1055 0.5429 4.42 1
O4 O 0.2094 0.0467 0.3679 1.34 1
D2O1 O2-(D2O) 0.244 0 0 4.74 0.1
D2O2 O2-(D2O) 0.066 0.066 0.066 4.74 0.23
D2O3 O2-(D2O) 0.441 0.441 0.441 4.74 0.07
# End of data for Rho_Berylloarsenate_deuterated