data_global
_chemical_name_mineral 'Makatite'
loop_
_publ_author_name
'Annehed H'
'Faelth L'
'Lincoln F J'
_journal_name_full 'Zeitschrift fur Kristallographie'
_journal_volume 159 
_journal_year 1982
_journal_page_first 203
_journal_page_last 210
_publ_section_title
;
 Crystal structure of synthetic makatite Na2Si4O8(OH)2(H2O)4
;
_database_code_amcsd 0010848
_chemical_formula_sum 'Na Si2 O7 H5'
_cell_length_a 7.3881
_cell_length_b 18.094
_cell_length_c 9.5234
_cell_angle_alpha 90
_cell_angle_beta 90.64
_cell_angle_gamma 90
_cell_volume 1273.011
_exptl_crystal_density_diffrn      2.047
_symmetry_space_group_name_H-M 'P 1 21/c 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2-y,1/2+z'
  '-x,1/2+y,1/2-z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Na1   0.50000   0.50000   0.00000
Na2   0.00000   0.50000   0.00000
Na3   0.74780   0.03240   0.12850
Si1   0.28220   0.21430   0.18760
Si2   0.69970   0.21820   0.17480
Si3   0.77760   0.33880   0.38910
Si4   0.20010   0.33490   0.39900
O1   0.24210   0.22410   0.02240
O2   0.24760   0.29710   0.25070
O3   0.49310   0.19510   0.20500
O4   0.73070   0.22320   0.00640
O5   0.74290   0.30010   0.23580
O6   0.99020   0.35970   0.39920
O-H7   0.16190   0.15170   0.25850
O-H8   0.82400   0.15460   0.24440
O9   0.66620   0.41260   0.40750
O10   0.31750   0.40830   0.42020
Wat11   0.75060   0.41080   0.00290
Wat12   0.24500   0.40800   0.01870
Wat13   0.02960   0.01230   0.23360
Wat14   0.47140   0.02400   0.25290
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
Na1 0.03705 0.02985 0.03675 0.00203 0.00677 -0.00175
Na2 0.04009 0.02156 0.04089 0.00339 0.00249 -0.00873
Na3 0.04037 0.02156 0.04135 -0.00474 0.00499 0.00524
Si1 0.01078 0.01161 0.01332 -0.00135 0.00356 -0.00262
Si2 0.01023 0.01327 0.01746 -0.00068 0.00356 -0.00087
Si3 0.01078 0.00995 0.01149 -0.00068 0.00285 -0.00087
Si4 0.01217 0.00995 0.01562 0.00135 0.00356 0.00000
O1 0.03235 0.01990 0.01378 -0.00068 0.00392 0.00262
O2 0.01991 0.01327 0.01975 0.00068 0.00071 -0.00262
O3 0.01161 0.01659 0.02848 0.00203 0.00499 0.00175
O4 0.03041 0.01824 0.01149 -0.00474 0.01354 -0.00349
O5 0.02488 0.00663 0.01103 -0.00406 0.00321 0.00000
O6 0.01023 0.02654 0.01700 -0.00203 -0.00463 0.00349
O-H7 0.01106 0.02985 0.02665 -0.00068 0.00285 0.00698
O-H8 0.01604 0.01824 0.02619 0.00271 0.00677 0.00175
O9 0.01300 0.00995 0.02573 0.00068 0.00036 -0.00349
O10 0.00498 0.01161 0.03721 -0.00745 -0.00428 0.00087
Wat11 0.02101 0.01990 0.03170 0.00339 0.00036 0.00262
Wat12 0.03235 0.02322 0.02159 0.00677 -0.00071 -0.00698
Wat13 0.04092 0.01990 0.03216 0.00542 -0.01426 -0.00087
Wat14 0.03705 0.02820 0.01746 -0.00271 0.00356 -0.00349