FAU.cif

data_FAU

#**************************************************************************
#
# 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                  24.3450(0)
_cell_length_b                  24.3450(0)
_cell_length_c                  24.3450(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     'F d 3 m'
_symmetry_Int_Tables_number         227
_space_group.IT_coordinate_system_code  '2'
_symmetry_cell_setting             cubic

loop_
_symmetry_equiv_pos_as_xyz
'+x,+y,+z'
'+x,1/2+y,1/2+z'
'1/2+x,1/2+y,+z'
'1/2+x,+y,1/2+z'
'+z,+x,+y'
'+z,1/2+x,1/2+y'
'1/2+z,1/2+x,+y'
'1/2+z,+x,1/2+y'
'+y,+z,+x'
'+y,1/2+z,1/2+x'
'1/2+y,1/2+z,+x'
'1/2+y,+z,1/2+x'
'-x,1/4+y,1/4+z'
'-x,3/4+y,3/4+z'
'1/2-x,3/4+y,1/4+z'
'1/2-x,1/4+y,3/4+z'
'-z,1/4+x,1/4+y'
'-z,3/4+x,3/4+y'
'1/2-z,3/4+x,1/4+y'
'1/2-z,1/4+x,3/4+y'
'-y,1/4+z,1/4+x'
'-y,3/4+z,3/4+x'
'1/2-y,3/4+z,1/4+x'
'1/2-y,1/4+z,3/4+x'
'1/4+x,-y,1/4+z'
'1/4+x,1/2-y,3/4+z'
'3/4+x,1/2-y,1/4+z'
'3/4+x,-y,3/4+z'
'1/4+z,-x,1/4+y'
'1/4+z,1/2-x,3/4+y'
'3/4+z,1/2-x,1/4+y'
'3/4+z,-x,3/4+y'
'1/4+y,-z,1/4+x'
'1/4+y,1/2-z,3/4+x'
'3/4+y,1/2-z,1/4+x'
'3/4+y,-z,3/4+x'
'1/4-x,3/4-y,1/2+z'
'1/4-x,1/4-y,+z'
'3/4-x,1/4-y,1/2+z'
'3/4-x,3/4-y,+z'
'1/4-z,3/4-x,1/2+y'
'1/4-z,1/4-x,+y'
'3/4-z,1/4-x,1/2+y'
'3/4-z,3/4-x,+y'
'1/4-y,3/4-z,1/2+x'
'1/4-y,1/4-z,+x'
'3/4-y,1/4-z,1/2+x'
'3/4-y,3/4-z,+x'
'+y,+x,+z'
'+y,1/2+x,1/2+z'
'1/2+y,1/2+x,+z'
'1/2+y,+x,1/2+z'
'+x,+z,+y'
'+x,1/2+z,1/2+y'
'1/2+x,1/2+z,+y'
'1/2+x,+z,1/2+y'
'+z,+y,+x'
'+z,1/2+y,1/2+x'
'1/2+z,1/2+y,+x'
'1/2+z,+y,1/2+x'
'1/4+y,-x,1/4+z'
'1/4+y,1/2-x,3/4+z'
'3/4+y,1/2-x,1/4+z'
'3/4+y,-x,3/4+z'
'1/4+x,-z,1/4+y'
'1/4+x,1/2-z,3/4+y'
'3/4+x,1/2-z,1/4+y'
'3/4+x,-z,3/4+y'
'1/4+z,-y,1/4+x'
'1/4+z,1/2-y,3/4+x'
'3/4+z,1/2-y,1/4+x'
'3/4+z,-y,3/4+x'
'-y,1/4+x,1/4+z'
'-y,3/4+x,3/4+z'
'1/2-y,3/4+x,1/4+z'
'1/2-y,1/4+x,3/4+z'
'-x,1/4+z,1/4+y'
'-x,3/4+z,3/4+y'
'1/2-x,3/4+z,1/4+y'
'1/2-x,1/4+z,3/4+y'
'-z,1/4+y,1/4+x'
'-z,3/4+y,3/4+x'
'1/2-z,3/4+y,1/4+x'
'1/2-z,1/4+y,3/4+x'
'3/4-y,1/4-x,1/2+z'
'3/4-y,3/4-x,+z'
'1/4-y,3/4-x,1/2+z'
'1/4-y,1/4-x,+z'
'3/4-x,1/4-z,1/2+y'
'3/4-x,3/4-z,+y'
'1/4-x,3/4-z,1/2+y'
'1/4-x,1/4-z,+y'
'3/4-z,1/4-y,1/2+x'
'3/4-z,3/4-y,+x'
'1/4-z,3/4-y,1/2+x'
'1/4-z,1/4-y,+x'
'-x,-y,-z'
'-x,1/2-y,1/2-z'
'1/2-x,1/2-y,-z'
'1/2-x,-y,1/2-z'
'-z,-x,-y'
'-z,1/2-x,1/2-y'
'1/2-z,1/2-x,-y'
'1/2-z,-x,1/2-y'
'-y,-z,-x'
'-y,1/2-z,1/2-x'
'1/2-y,1/2-z,-x'
'1/2-y,-z,1/2-x'
'+x,3/4-y,3/4-z'
'+x,1/4-y,1/4-z'
'1/2+x,1/4-y,3/4-z'
'1/2+x,3/4-y,1/4-z'
'+z,3/4-x,3/4-y'
'+z,1/4-x,1/4-y'
'1/2+z,1/4-x,3/4-y'
'1/2+z,3/4-x,1/4-y'
'+y,3/4-z,3/4-x'
'+y,1/4-z,1/4-x'
'1/2+y,1/4-z,3/4-x'
'1/2+y,3/4-z,1/4-x'
'3/4-x,+y,3/4-z'
'3/4-x,1/2+y,1/4-z'
'1/4-x,1/2+y,3/4-z'
'1/4-x,+y,1/4-z'
'3/4-z,+x,3/4-y'
'3/4-z,1/2+x,1/4-y'
'1/4-z,1/2+x,3/4-y'
'1/4-z,+x,1/4-y'
'3/4-y,+z,3/4-x'
'3/4-y,1/2+z,1/4-x'
'1/4-y,1/2+z,3/4-x'
'1/4-y,+z,1/4-x'
'3/4+x,1/4+y,1/2-z'
'3/4+x,3/4+y,-z'
'1/4+x,3/4+y,1/2-z'
'1/4+x,1/4+y,-z'
'3/4+z,1/4+x,1/2-y'
'3/4+z,3/4+x,-y'
'1/4+z,3/4+x,1/2-y'
'1/4+z,1/4+x,-y'
'3/4+y,1/4+z,1/2-x'
'3/4+y,3/4+z,-x'
'1/4+y,3/4+z,1/2-x'
'1/4+y,1/4+z,-x'
'-y,-x,-z'
'-y,1/2-x,1/2-z'
'1/2-y,1/2-x,-z'
'1/2-y,-x,1/2-z'
'-x,-z,-y'
'-x,1/2-z,1/2-y'
'1/2-x,1/2-z,-y'
'1/2-x,-z,1/2-y'
'-z,-y,-x'
'-z,1/2-y,1/2-x'
'1/2-z,1/2-y,-x'
'1/2-z,-y,1/2-x'
'3/4-y,+x,3/4-z'
'3/4-y,1/2+x,1/4-z'
'1/4-y,1/2+x,3/4-z'
'1/4-y,+x,1/4-z'
'3/4-x,+z,3/4-y'
'3/4-x,1/2+z,1/4-y'
'1/4-x,1/2+z,3/4-y'
'1/4-x,+z,1/4-y'
'3/4-z,+y,3/4-x'
'3/4-z,1/2+y,1/4-x'
'1/4-z,1/2+y,3/4-x'
'1/4-z,+y,1/4-x'
'+y,3/4-x,3/4-z'
'+y,1/4-x,1/4-z'
'1/2+y,1/4-x,3/4-z'
'1/2+y,3/4-x,1/4-z'
'+x,3/4-z,3/4-y'
'+x,1/4-z,1/4-y'
'1/2+x,1/4-z,3/4-y'
'1/2+x,3/4-z,1/4-y'
'+z,3/4-y,3/4-x'
'+z,1/4-y,1/4-x'
'1/2+z,1/4-y,3/4-x'
'1/2+z,3/4-y,1/4-x'
'1/4+y,3/4+x,1/2-z'
'1/4+y,1/4+x,-z'
'3/4+y,1/4+x,1/2-z'
'3/4+y,3/4+x,-z'
'1/4+x,3/4+z,1/2-y'
'1/4+x,1/4+z,-y'
'3/4+x,1/4+z,1/2-y'
'3/4+x,3/4+z,-y'
'1/4+z,3/4+y,1/2-x'
'1/4+z,1/4+y,-x'
'3/4+z,1/4+y,1/2-x'
'3/4+z,3/4+y,-x'

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
    O1    O     0.8958    0.1042    0.0000
    O2    O     0.9669    0.0762    0.0762
    O3    O     0.9966    0.1429    0.9966
    O4    O     0.9283    0.1770    0.0730
    T1    Si    0.9469    0.1251    0.0364