data_9004136
_chemical_name 'Scapolite'
loop_
_publ_author_name
'Peterson R C'
'Donnay G'
'Le Page Y'
_journal_name_full "The Canadian Mineralogist"
_journal_volume 17
_journal_year 1979
_journal_page_first 53
_journal_page_last 61
_publ_section_title
;
 Sulfate disorder in scapolite
;
_chemical_formula_sum 'Ca2.92 Na.92 Si2.36 Al3.28 O26.24 C.68 S.29 Cl.03'
_cell_length_a 12.158
_cell_length_b 12.158
_cell_length_c 7.573
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 1119.418
_symmetry_space_group_name_H-M 'I 4/m'
loop_
_symmetry_equiv_pos_as_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
Ca   0.35783   0.28298   0.50000   0.73000
Na   0.35783   0.28298   0.50000   0.23000
Si   0.33916   0.40831   0.00000   0.59000
Al   0.66023   0.91311   0.79306   0.41000
O1   0.45805   0.34810   0.00000   1.00000
O2   0.68670   0.87309   0.00000   1.00000
O3   0.34942   0.94961   0.79280   1.00000
O5   0.26668   0.36560   0.82610   1.00000
O7   0.50700   0.38500   0.50000   0.16000
O8   0.60200   0.53300   0.50000   0.16000
O9   0.41500   0.53500   0.50000   0.16000
O10   0.59960   0.51770   0.60600   0.04000
C   0.49250   0.51300   0.50000   0.17000
S   0.50000   0.50000   0.50000   0.29000
Cl   0.50000   0.50000   0.50000   0.03000