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 0001443
_chemical_compound_source 'Fara Vicentina, Italy'
_chemical_formula_sum '(Al.75 Si1.25) O5.57 Ca.436 H3.14'
_cell_length_a 9.8712
_cell_length_b 9.8712
_cell_length_c 10.2987
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 1003.511
_exptl_crystal_density_diffrn      2.186
_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   0.15500   0.15500   0.50000   0.37500   0.02500
Si1   0.15500   0.15500   0.50000   0.62500   0.02500
Al2   0.34000   0.16000   0.25000   0.37500   0.01800
Si2   0.34000   0.16000   0.25000   0.62500   0.01800
O11   0.15000   0.00000   0.55000   1.00000   0.02900
O12   0.30000   0.00000   0.23000   1.00000   0.02000
O2   0.29100   0.26000   0.12700   1.00000   0.08400
Ca1   0.00000   0.40700   0.08000   0.26200   0.04000
Ca2   0.00000   0.20600   0.08600   0.17400   0.04900
Wat1   0.00000   0.00000   0.12400   0.59000   0.03000
Wat1b   0.00000   0.00000   0.22000   0.19000   0.14000
Wat2   0.15700   0.43300   0.22800   0.59000   0.04300