data_global
_chemical_name_mineral 'Gmelinite-Ca'
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 3Ca, natural sample is cation exchanged with Ca
;
_database_code_amcsd 0015870
_chemical_compound_source 'San Giorgio perlena, Fara Vincentina, Vicenza, Italy'
_chemical_formula_sum 'Ca1.25 (Si4.179 Al1.821) O17.94 H5.88'
_cell_length_a 13.807
_cell_length_b 13.807
_cell_length_c 9.792
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 1616.593
_exptl_crystal_density_diffrn      2.094
_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
Ca1   0.33330   0.66670   0.09000   0.53000   0.03900
Ca2   0.10570   0.21100   0.05100   0.12000   0.08000
Si   0.44280   0.10850   0.08820   0.69650   0.01340
Al   0.44280   0.10850   0.08820   0.30350   0.01340
O1   0.42500   0.21260   0.04300   1.00000   0.04100
O2   0.85400   0.42680   0.04500   1.00000   0.03500
O3   0.42110   0.07950   0.25000   1.00000   0.03500
O4   0.35470   0.00000   0.00000   1.00000   0.03200
Wat1   0.18100   0.55600   0.25000   0.50000   0.08000
Wat2   0.16230   0.32500   0.25000   0.40000   0.08000
Wat6   0.00000   0.00000   0.04000   0.24000   0.10000