data_global
_chemical_name_mineral '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
;
_database_code_amcsd 287
_chemical_formula_sum 'Si7.748 Al.112 Ca3.76 K.882 Na3.658 C4 O31.373 F.41 H3.28'
_cell_length_a 13.178
_cell_length_b 13.178
_cell_length_c 16.695
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_cell_volume 2899.249
_exptl_crystal_density_diffrn  2.408
_symmetry_space_group_name_H-M 'P 4/m b m'
loop_
_space_group_symop_operation_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   0.0731  0.2644  0.4077  0.965
Si2   0.2162  0.1189  0.3077  0.972
Al2   0.2162  0.1189  0.3077  0.028
Ca   0.0604  0.1773  0.1416  0.94
K   0.5  0.0  0.2962  0.882
Na1   0.0  0.0  0.2754  0.923
Na2   0.1399  0.6399  0.1424  0.905
Na3   0.2227  0.2773  0.0  0.925
C1   0.2127  0.0572  0.0  1.0
C2   0.1197  0.3803  0.1674  1.0
O1   0.1475  0.1807  0.3722  1.0
O2   0.2718  0.0308  0.3559  1.0
O3   0.1517  0.0783  0.2357  1.0
O4   0.3072  0.1928  0.2776  1.0
O5   0.1251  0.3749  0.402  1.0
O6   0.0509  0.2358  0.5  1.0
O7   0.211  0.1046  0.0674  0.97
O8   0.1834  0.3166  0.136  0.984
O9   0.0389  0.2146  0.0  0.969
O10   0.0306  0.3497  0.1825  0.913
Wat11   0.0  0.0  0.4157  0.791
Wat12   0.4452  0.0548  0.0  0.554
O-H13   0.0  0.0  0.1179  0.59
F13   0.0  0.0  0.1179  0.41
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Si1   0.00897  0.01091  0.0113  -0.00246  -0.00134  -0.00245
Si2   0.01003  0.00924  0.012  0.00185  -0.00045  0.00123
Al2   0.01003  0.00924  0.012  0.00185  -0.00045  0.00123
Ca   0.00862  0.00845  0.01031  -0.00018  -0.00022  0.0
K   0.0256  0.0256  0.03205  0.0  0.0  0.0
Na1   0.01214  0.01214  0.0216  0.0  0.0  0.0
Na2   0.02173  0.02173  0.02528  -0.02252  -0.01449  0.01449
Na3   0.01944  0.01944  0.01144  -0.01152  0.0  0.0
C1   0.01346  0.01504  0.01638  0.00334  0.0  0.0
C2   0.02261  0.02261  0.02542  -0.00132  0.00189  -0.00189
O1   0.02833  0.02622  0.02584  0.00282  0.00312  -0.00959
O2   0.02164  0.01821  0.02203  0.00018  -0.00546  0.00145
O3   0.0139  0.01496  0.01949  -0.0007  -0.00134  -0.00089
O4   0.019  0.019  0.01723  -0.00079  -0.00669  0.00669
O5   0.02059  0.02059  0.02499  -0.00554  0.00022  -0.00022
O6   0.02419  0.02076  0.02287  -0.00607  0.0  0.0
O7   0.019  0.0146  0.01384  0.00352  0.00011  -0.00078
O8   0.0154  0.0154  0.02429  -0.00801  0.0078  -0.0078
O9   0.01355  0.0395  0.01214  0.00396  0.0  0.0
O10   0.01284  0.01196  0.02838  -0.00176  0.0058  -0.00791
Wat11   0.05243  0.05243  0.04208  0.0  0.0  0.0
Wat12   0.10927  0.10927  0.134  -0.08384  0.0  0.0
O-H13   0.01443  0.01443  0.02104  0.0  0.0  0.0
F13   0.01443  0.01443  0.02104  0.0  0.0  0.0