#*********************************************************************************
#
# Crystallographic Information File for RUB-3 
#
# Reference :
#   Marler, B., Grünewald-L&uumlke, A. and Gies, H.
#   Zeolites, 15, 388-399, (1995)
#
# CIF downloaded from the IZA-SC Database of Zeolite Structures
# Ch. Baerlocher, L.B. McCusker, D.H. Brouwer and B. Marler
# Database of Zeolite Structures: https://www.iza-structure.org/databases/
#
#*****************************************************************************************

data_RUB-3
_chemical_name_systematic 'RUB-3'

_cell_length_a      14.039
_cell_length_b      13.602
_cell_length_c      7.428 
_cell_angle_alpha   90 
_cell_angle_beta    102.22 
_cell_angle_gamma   90
_cell_formula_units_Z   1


_space_group.name_H-M_ref   'C 1 2/m 1'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_symmetry_space_group_name_Hall  '-C 2y'
_space_group.IT_number  12 

 
 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
SI1  Si  0.10276  0.11212  -0.04452  0  1
SI2  Si  0.23364  0.11175  0.35042  0  1
SI3  Si  0.11292  0.21938  0.58774  0  1
O1  O  0  0.1419  0  0  1
O2  O  0.0994  0  -0.10716  0  1
O3  O  0.18747  0.12661  0.13589  0  1
O4  O  0.12441  0.17997  -0.20622  0  1
O5  O  0.26563  0  0.38796  0  1
O6  O  0.32712  0.18095  0.41035  0  1
O7  O  0.15422  0.13944  0.46724  0  1
O8  O  0  0.23919  0.5  0  1

# End of data for RUB-3