data_MOR

#**************************************************************************
#
# 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                  18.2560(0)
_cell_length_b                  20.5340(0)
_cell_length_c                   7.5420(0)
_cell_angle_alpha               90.0000(0)
_cell_angle_beta                90.0000(0)
_cell_angle_gamma               90.0000(0)

_symmetry_space_group_name_H-M     'C m c m'
_symmetry_Int_Tables_number         63
_symmetry_cell_setting             orthorhombic

loop_
_symmetry_equiv_pos_as_xyz
'+x,+y,+z'
'1/2+x,1/2+y,+z'
'-x,+y,+z'
'1/2-x,1/2+y,+z'
'+x,-y,1/2+z'
'1/2+x,1/2-y,1/2+z'
'-x,-y,1/2+z'
'1/2-x,1/2-y,1/2+z'
'-x,-y,-z'
'1/2-x,1/2-y,-z'
'+x,-y,-z'
'1/2+x,1/2-y,-z'
'-x,+y,1/2-z'
'1/2-x,1/2+y,1/2-z'
'+x,+y,1/2-z'
'1/2+x,1/2+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     0.2811    0.0000    0.0000
    O2    O     0.3268    0.0795    0.2500
    O3    O     0.3757    0.0924    0.9243
    O4    O     0.2391    0.1223    0.9992
    O5    O     0.3253    0.3089    0.2500
    O6    O     0.2500    0.2500    0.0000
    O7    O     0.3757    0.3058    0.9242
    O8    O     0.0000    0.4005    0.2500
    O9    O     0.0906    0.3009    0.2500
   O10    O     0.0000    0.2013    0.2500
    T1    Si    0.3057    0.0736    0.0435
    T2    Si    0.3028    0.3106    0.0437
    T3    Si    0.0848    0.3791    0.2500
    T4    Si    0.0848    0.2227    0.2500

