data_global
_chemical_name_mineral 'Gmelinite-Na'
loop_
_publ_author_name
'Sacerdoti M'
'Passaglia E'
'Carnevali R'
_journal_name_full 'Zeolites'
_journal_volume 15 
_journal_year 1995
_journal_page_first 276
_journal_page_last 281
_publ_section_title
;
 Structural refinements of Na-, K-, and Ca-exchanged gmelinites
 Note: sample 1Na, natural sample is cation exchanged with Na
;
_database_code_amcsd 0015871
_chemical_compound_source 'Montecchio Maggiore, Vicenza, Italy'
_chemical_formula_sum 'Na.9 (Si1.358 Al.642) O5.54 H3.08'
_cell_length_a 13.766
_cell_length_b 13.766
_cell_length_c 10.076
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 1653.615
_exptl_crystal_density_diffrn      2.023
_symmetry_space_group_name_H-M 'P 63/m m c'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-x,-x+y,1/2+z'
  'x,x-y,1/2-z'
  '-x+y,-x,1/2-z'
  'x-y,x,1/2+z'
  '-y,-x,z'
  'y,x,-z'
  'y,-x+y,-z'
  '-y,x-y,z'
  'x-y,-y,1/2+z'
  '-x+y,y,1/2-z'
  'x,y,1/2-z'
  '-x,-y,1/2+z'
  'x,x-y,z'
  '-x,-x+y,-z'
  'x-y,x,-z'
  '-x+y,-x,z'
  'y,x,1/2+z'
  '-y,-x,1/2-z'
  '-y,x-y,1/2-z'
  'y,-x+y,1/2+z'
  '-x+y,y,z'
  'x-y,-y,-z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Na1   0.33330   0.66670   0.07270   1.00000   0.04100
Na2   0.12040   0.24100   0.07100   0.34000   0.08600
Si   0.44120   0.10580   0.09420   0.67890   0.01130
Al   0.44120   0.10580   0.09420   0.32110   0.01130
O1   0.41710   0.20860   0.05980   1.00000   0.02900
O2   0.85050   0.42530   0.06070   1.00000   0.02500
O3   0.41100   0.06580   0.25000   1.00000   0.02700
O4   0.35570   0.00000   0.00000   1.00000   0.02700
Wat1   0.19650   0.54900   0.25000   0.50000   0.05500
Wat2   0.16970   0.33900   0.25000   0.68000   0.08800
Wat3   0.16300   0.08150   0.11700   0.36000   0.06900