data_global
_chemical_name_mineral 'Gonnardite'
loop_
_publ_author_name
'Lee Y'
'Hriljac J A'
'Parise J B'
'Vogt T'
_journal_name_full 'American Mineralogist'
_journal_volume 91 
_journal_year 2006
_journal_page_first 247
_journal_page_last 251
_publ_section_title
;
 Pressure-induced hydration in zeolite tetranatrolite
 Note: P = 0 GPa
;
_database_code_amcsd 0004006
_chemical_compound_source 'Mt. Saint-Hilaire, Quebec, Canada'
_chemical_formula_sum 'Na1.462 Ca.474 (Si2.685 Al2.315) O12.74 H5.48'
_cell_length_a 13.1988
_cell_length_b 13.1988
_cell_length_c 6.6288
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 1154.792
_exptl_crystal_density_diffrn      2.300
_symmetry_space_group_name_H-M 'I -4 2 d'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,1/2+z'
  '1/2-y,-x,3/4+z'
  '-y,1/2-x,1/4+z'
  'y,-x,-z'
  '1/2+y,1/2-x,1/2-z'
  '-x,1/2+y,1/4-z'
  '1/2-x,+y,3/4-z'
  '-x,-y,z'
  '1/2-x,1/2-y,1/2+z'
  '1/2+y,x,3/4+z'
  '+y,1/2+x,1/4+z'
  '-y,x,-z'
  '1/2-y,1/2+x,1/2-z'
  'x,1/2-y,1/4-z'
  '1/2+x,-y,3/4-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
Na   0.69230   0.25000   0.12500   0.73100   0.02680
Ca   0.69230   0.25000   0.12500   0.23700   0.02680
Si1   0.00000   0.00000   0.00000   0.53700   0.00800
Al1   0.00000   0.00000   0.00000   0.46300   0.00800
Si2   0.05500   0.13260   0.62100   0.53700   0.00800
Al2   0.05500   0.13260   0.62100   0.46300   0.00800
O1   0.39180   0.25000   0.12500   1.00000   0.01200
O2   0.13390   0.06070   0.47800   1.00000   0.01200
O3   0.05260   0.09510   0.86620   1.00000   0.01200
Wat4   0.12770   0.25000   0.12500   1.00000   0.03800
Wat5   0.87500   0.25000   0.12500   0.37000   0.03800