data_9000278
_chemical_name 'Carletonite'
loop_
_publ_author_name
'Chao G Y'
_journal_name_full "American Mineralogist"
_journal_volume 57
_journal_year 1972
_journal_page_first 765
_journal_page_last 778
_publ_section_title
;
 The crystal structure of carletonite, KNa4Ca4Si8O18(CO3)4(F,OH).H2O,
 a double-sheet silicate
;
_chemical_formula_sum 'Si7.748 Al.112 Ca3.76 K.882 Na3.658 C4 O31.373 F.41 H3.1'
_cell_length_a 13.178
_cell_length_b 13.178
_cell_length_c 16.695
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 2899.249
_symmetry_space_group_name_H-M 'P 4/m b m'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2-y,1/2-x,z'
  '1/2+y,1/2+x,-z'
  'y,-x,-z'
  '-y,x,z'
  '1/2+x,1/2-y,z'
  '1/2-x,1/2+y,-z'
  'x,y,-z'
  '-x,-y,z'
  '1/2+y,1/2+x,z'
  '1/2-y,1/2-x,-z'
  '-y,x,-z'
  'y,-x,z'
  '1/2-x,1/2+y,z'
  '1/2+x,1/2-y,-z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Si1   0.07310   0.26440   0.40770   0.96500
Si2   0.21620   0.11890   0.30770   0.97200
Al2   0.21620   0.11890   0.30770   0.02800
Ca   0.06040   0.17730   0.14160   0.94000
K   0.50000   0.00000   0.29620   0.88200
Na1   0.00000   0.00000   0.27540   0.92300
Na2   0.13990   0.63990   0.14240   0.90500
Na3   0.22270   0.27730   0.00000   0.92500
C1   0.21270   0.05720   0.00000   1.00000
C2   0.11970   0.38030   0.16740   1.00000
O1   0.14750   0.18070   0.37220   1.00000
O2   0.27180   0.03080   0.35590   1.00000
O3   0.15170   0.07830   0.23570   1.00000
O4   0.30720   0.19280   0.27760   1.00000
O5   0.12510   0.37490   0.40200   1.00000
O6   0.05090   0.23580   0.50000   1.00000
O7   0.21100   0.10460   0.06740   0.97000
O8   0.18340   0.31660   0.13600   0.98400
O9   0.03890   0.21460   0.00000   0.96900
O10   0.03060   0.34970   0.18250   0.91300
Wat11   0.00000   0.00000   0.41570   0.79100
Wat12   0.44520   0.05480   0.00000   0.55400
O-H13   0.00000   0.00000   0.11790   0.59000
F13   0.00000   0.00000   0.11790   0.41000