#*********************************************************************************
#
# Crystallographic Information File for RUB-13 
#
# Reference :
#   Vortmann, S., Marler, B., Gies, H. and Daniels, P.
#   Microporous Materials, 4, 111-121, (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-13
_chemical_name_systematic 'RUB-13'

_cell_length_a      9.659
_cell_length_b      20.461
_cell_length_c      9.831 
_cell_angle_alpha   90 
_cell_angle_beta    96.58 
_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
T1  Si  -0.00071  0.32074  0.34243  0.96  0.969
T2  Si  0.40984  0.07574  0.12008  1.21  0.969
T3  Si  0.25048  0.26603  0.21513  1.37  0.969
T4  Si  0.15487  0.15272  0.01508  1.69  0.969
O1  O  0  0.34053  0.5  1.76  1
O2  O  0  0.12655  0  1.94  1
O3  O  0.151  0.29265  0.3211  2.07  1
O4  O  0.16628  0.21447  0.11538  2.59  1
O5  O  0.25098  0.09473  0.07707  2.22  1
O6  O  0.31018  0.32663  0.12877  2.43  1
O7  O  -0.11737  0.26658  0.30066  2.6  1
O8  O  0.42048  0  0.15383  2.3  1
O9  O  -0.03047  0.38601  0.25539  2.53  1
O10  O  0.5  0.09471  0  2.68  1

# End of data for RUB-13