data_global
_chemical_name_mineral 'Ferrierite-Mg'
loop_
_publ_author_name
'Vaughan P A'
_journal_name_full 'Acta Crystallographica'
_journal_volume 21 
_journal_year 1966
_journal_page_first 983
_journal_page_last 990
_publ_section_title
;
 The crystal structure of the zeolite ferrierite
;
_database_code_amcsd 0017696
_chemical_compound_source 'Kamloops Lake, British Columbia, Canada'
_chemical_formula_sum 'Na.75 Mg (Si15.246 Al2.754) O42 H12'
_cell_length_a 19.156
_cell_length_b 14.127
_cell_length_c 7.489
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 2026.649
_exptl_crystal_density_diffrn      2.013
_symmetry_space_group_name_H-M 'I m m m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,1/2+z'
  'x,-y,z'
  '1/2+x,1/2-y,1/2+z'
  '-x,y,-z'
  '1/2-x,1/2+y,1/2-z'
  '-x,y,z'
  '1/2-x,1/2+y,1/2+z'
  'x,-y,-z'
  '1/2+x,1/2-y,1/2-z'
  'x,y,-z'
  '1/2+x,1/2+y,1/2-z'
  '-x,-y,z'
  '1/2-x,1/2-y,1/2+z'
  '-x,-y,-z'
  '1/2-x,1/2-y,1/2-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Na1   0.42850   0.00000   0.00000   0.37500
Mg1   0.00000   0.00000   0.50000   1.00000
Si1   0.15480   0.00000   0.00000   0.84700
Al1   0.15480   0.00000   0.00000   0.15300
Si2   0.08410   0.20240   0.00000   0.84700
Al2   0.08410   0.20240   0.00000   0.15300
Si3   0.27270   0.00000   0.29050   0.84700
Al3   0.27270   0.00000   0.29050   0.15300
Si4   0.32320   0.20190   0.20670   0.84700
Al4   0.32320   0.20190   0.20670   0.15300
O1   0.00000   0.21310   0.00000   1.00000
O2   0.25280   0.00000   0.50000   1.00000
O3   0.10250   0.08820   0.00000   1.00000
O4   0.20390   0.00000   0.17760   1.00000
O5   0.25000   0.25000   0.25000   1.00000
O6   0.16100   0.28330   0.50000   1.00000
O7   0.11550   0.24970   0.17960   1.00000
O8   0.32020   0.09070   0.24590   1.00000
Wat9   0.00000   0.00000   0.23890   1.00000
Wat10   0.09120   0.06910   0.50000   0.50000
Wat11   0.03470   0.14030   0.50000   0.50000
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Na1 0.01800 0.08100 0.01500 0.00000 0.00000 0.00000
Mg1 0.02400 0.04800 0.05300 0.00000 0.00000 0.00000
Si1 0.03000 0.01900 0.01700 0.00000 0.00000 0.00000
Al1 0.03000 0.01900 0.01700 0.00000 0.00000 0.00000
Si2 0.02400 0.02300 0.01200 0.00000 0.00000 0.00200
Al2 0.02400 0.02300 0.01200 0.00000 0.00000 0.00200
Si3 0.03300 0.02000 0.02600 -0.00100 -0.00400 0.00000
Al3 0.03300 0.02000 0.02600 -0.00100 -0.00400 0.00000
Si4 0.03100 0.01900 0.02600 -0.00400 0.00000 0.00000
Al4 0.03100 0.01900 0.02600 -0.00400 0.00000 0.00000
O1 0.04300 0.05700 0.04600 0.00000 0.00000 0.00000
O2 0.10000 0.01800 0.02500 0.00000 0.00000 0.00000
O3 0.06600 0.03400 0.11400 0.00000 0.00000 0.01600
O4 0.05900 0.11900 0.02000 -0.01300 0.00000 0.00000
O5 0.07800 0.04300 0.05000 -0.00500 0.00000 0.00600
O6 0.08300 0.04800 0.01400 0.00000 0.00000 0.01000
O7 0.06100 0.06700 0.04000 -0.00300 -0.21000 -0.00700
O8 0.05900 0.02600 0.05900 0.00300 0.00400 0.00400
Wat9 0.05300 0.04800 0.03800 0.00000 0.00000 0.00000
Wat10 0.10100 0.17500 0.01000 0.00000 0.00000 -0.05100
Wat11 0.14200 0.05200 0.15600 0.00000 0.00000 -0.05600