data_global
_chemical_name_mineral 'Stratlingite'
loop_
_publ_author_name
'Rinaldi R'
'Sacerdoti M'
'Passaglia E'
_journal_name_full 'European Journal of Mineralogy'
_journal_volume 2 
_journal_year 1990
_journal_page_first 841
_journal_page_last 849
_publ_section_title
;
 Stratlingite: crystal structure, chemistry, and a reexamination
 of its polytype vertumnite
;
_database_code_amcsd 0006404
_chemical_formula_sum 'Al2.11 Ca2 Si1.11 O16.25 H16.5'
_cell_length_a 5.745
_cell_length_b 5.745
_cell_length_c 37.77
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 1079.587
_exptl_crystal_density_diffrn      2.053
_symmetry_space_group_name_H-M 'R -3 m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '2/3+x,1/3+y,1/3+z'
  '1/3+x,2/3+y,2/3+z'
  'x,x-y,z'
  '2/3+x,1/3+x-y,1/3+z'
  '1/3+x,2/3+x-y,2/3+z'
  'y,x,-z'
  '2/3+y,1/3+x,1/3-z'
  '1/3+y,2/3+x,2/3-z'
  '-x+y,y,z'
  '2/3-x+y,1/3+y,1/3+z'
  '1/3-x+y,2/3+y,2/3+z'
  '-x,-x+y,-z'
  '2/3-x,1/3-x+y,1/3-z'
  '1/3-x,2/3-x+y,2/3-z'
  '-y,-x,z'
  '2/3-y,1/3-x,1/3+z'
  '1/3-y,2/3-x,2/3+z'
  'x-y,-y,-z'
  '2/3+x-y,1/3-y,1/3-z'
  '1/3+x-y,2/3-y,2/3-z'
  'y,-x+y,-z'
  '2/3+y,1/3-x+y,1/3-z'
  '1/3+y,2/3-x+y,2/3-z'
  '-x+y,-x,z'
  '2/3-x+y,1/3-x,1/3+z'
  '1/3-x+y,2/3-x,2/3+z'
  '-x,-y,-z'
  '2/3-x,1/3-y,1/3-z'
  '1/3-x,2/3-y,2/3-z'
  '-y,x-y,z'
  '2/3-y,1/3+x-y,1/3+z'
  '1/3-y,2/3+x-y,2/3+z'
  'x-y,x,-z'
  '2/3+x-y,1/3+x,1/3-z'
  '1/3+x-y,2/3+x,2/3-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
Al   0.00000   0.00000   0.00000   1.00000   0.01400
Ca   0.33333   0.66667   0.01420   1.00000   0.01600
Al1   0.00000   0.00000   0.12370   0.27000   0.03200
Si1   0.00000   0.00000   0.12370   0.27000   0.03200
Al2   0.66667   0.33333   0.12270   0.28500   0.03300
Si2   0.66667   0.33333   0.12270   0.28500   0.03300
O1   0.66667   0.33333   0.16620   1.00000   0.08600
O-H1   0.83000   0.17000   0.10670   1.00000   0.11200
O-H2   0.74900   0.05400   0.02680   0.50000   0.01200
Wat1   0.33333   0.66667   0.16670   0.25000   0.09800
Wat2   0.33333   0.66667   0.08120   1.00000   0.03500