data_RRO

#**************************************************************************
#
# CIF taken from the IZA-SC Database of Zeolite Structures
# Ch. Baerlocher and L.B. McCusker
# Database of Zeolite Structures: http://www.iza-structure.org/databases/ 
#
# The atom coordinates and the cell parameters were optimized with DLS76
# assuming a pure SiO2 composition.
#
#**************************************************************************

_cell_length_a                   7.4120(0)
_cell_length_b                   8.6410(0)
_cell_length_c                  17.1800(0)
_cell_angle_alpha               90.0000(0)
_cell_angle_beta               113.6780(0)
_cell_angle_gamma               90.0000(0)

_symmetry_space_group_name_H-M     'P 2/c'
_symmetry_Int_Tables_number         13
_symmetry_cell_setting             monoclinic

loop_
_symmetry_equiv_pos_as_xyz
'+x,+y,+z'
'-x,+y,1/2-z'
'-x,-y,-z'
'+x,-y,1/2+z'

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
    O1    O     0.1272    0.7139    0.0198
    O2    O     0.0000    0.0000    0.0000
    O3    O     0.8328    0.7927    0.0598
    O4    O     0.7814    0.7790    0.8992
    O5    O     0.6829    0.5180    0.0122
    O6    O     0.4834    0.2945    0.9157
    O7    O     0.6796    0.4881    0.8598
    O8    O     0.1313    0.6380    0.7167
    O9    O     0.5000    0.7077    0.7500
   O10    O     0.1412    0.4209    0.8258
    T1    Si    0.9348    0.8216    0.9940
    T2    Si    0.6819    0.3955    0.9415
    T3    Si    0.2934    0.6540    0.6768
    T4    Si    0.2769    0.3495    0.9171
    T5    Si    0.0000    0.4698    0.2500

