data_global
_chemical_name_mineral 'Garronite-Ca'
loop_
_publ_author_name
'Artioli G'
_journal_name_full 'American Mineralogist'
_journal_volume 77 
_journal_year 1992
_journal_page_first 189
_journal_page_last 196
_publ_section_title
;
 The crystal structure of garronite
;
_database_code_amcsd 0001442
_chemical_compound_source 'Goble, Oregon'
_chemical_formula_sum '(Al1.5 Si2.5) O11.02 Ca.704 Na.2 H6.04'
_cell_length_a 9.9266
_cell_length_b 9.9266
_cell_length_c 10.3031
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 1015.241
_exptl_crystal_density_diffrn      2.132
_symmetry_space_group_name_H-M 'I -4 m 2'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,1/2+z'
  'y,x,-z'
  '1/2+y,1/2+x,1/2-z'
  'y,-x,-z'
  '1/2+y,1/2-x,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'
  '-y,-x,-z'
  '1/2-y,1/2-x,1/2-z'
  '-y,x,-z'
  '1/2-y,1/2+x,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
_atom_site_U_iso_or_equiv
Al1   0.16070   0.16070   0.50000   0.37500   0.03900
Si1   0.16070   0.16070   0.50000   0.62500   0.03900
Al2   0.34210   0.15790   0.25000   0.37500   0.05100
Si2   0.34210   0.15790   0.25000   0.62500   0.05100
O11   0.17460   0.00000   0.53510   1.00000   0.03400
O12   0.30780   0.00000   0.21920   1.00000   0.03200
O2   0.29220   0.24880   0.12440   1.00000   0.08500
Ca1   0.00000   0.35200   0.09400   0.19700   0.11000
Ca2   0.00000   0.23800   0.10700   0.15500   0.11000
Na   0.00000   0.28100   0.22300   0.10000   0.08000
Wat1   0.00000   0.00000   0.15900   1.00000   0.11700
Wat2   0.10500   0.39500   0.25000   0.14000   0.02600
Wat2b   0.16100   0.43300   0.23400   0.24000   0.02600
Wat3   0.00000   0.17300   0.98100   0.39000   0.21000