data_global
_chemical_name_mineral 'Wiserite'
loop_
_publ_author_name
'Pertlik F'
'Dunn P J'
_journal_name_full 'American Mineralogist'
_journal_volume 74 
_journal_year 1989
_journal_page_first 1351
_journal_page_last 1354
_publ_section_title
;
 Crystal structure of wiserite
;
_database_code_amcsd 0001283
_chemical_formula_sum 'Mn14 B8 (O32 Mg.5) Si.5 Cl.8 H8'
_cell_length_a 20.192
_cell_length_b 20.192
_cell_length_c 3.281
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 1337.719
_exptl_crystal_density_diffrn      3.551
_symmetry_space_group_name_H-M 'P 4/n'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+y,-x,-z'
  '1/2-y,x,z'
  '1/2+x,1/2+y,-z'
  '1/2-x,1/2-y,z'
  '-y,1/2+x,-z'
  'y,1/2-x,z'
  '-x,-y,-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
Mn1   0.00000   0.00000   0.00000   1.00000 ?
Mn2   0.26828   0.03228   0.95605   1.00000 ?
Mn3   0.11177   0.08627   0.46820   1.00000 ?
Mn4   0.24573   0.88625   0.43468   1.00000 ?
B1   0.95890   0.12030   0.41300   1.00000 ?
B2   0.86370   0.04870   0.11000   1.00000 ?
O-H1   0.10850   0.15550   0.96650   1.00000 ?
O-H2   0.21740   0.08110   0.45960   1.00000 ?
O1   0.89520   0.10510   0.26500   1.00000 ?
O2   0.31460   0.97170   0.46010   1.00000 ?
O3   0.00320   0.07070   0.48170   1.00000 ?
O4   0.20380   0.94370   0.94160   1.00000 ?
O5   0.10340   0.00780   0.97240   1.00000 ?
O6   0.29800   0.81680   0.78220   1.00000 ?
Mg1   0.75000   0.25000   0.00000   0.50000 ?
Si1   0.75000   0.25000   0.00000   0.50000 ?
Cl1   0.75000   0.75000   0.77140   0.20000   0.04230
Cl2   0.75000   0.75000   0.27090   0.20000   0.04630
Cl3   0.75000   0.75000   0.52300   0.20000   0.03670
Cl4   0.75000   0.75000   0.02060   0.20000   0.05920
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
Mn1 0.01770 0.01880 0.02550 -0.00040 -0.00020 -0.00120
Mn2 0.00980 0.01090 0.01250 -0.00050 -0.00010 -0.00030
Mn3 0.00970 0.01170 0.01240 0.00010 -0.00020 -0.00040
Mn4 0.01870 0.01370 0.01700 -0.00010 -0.00450 0.00200
B1 0.01060 0.00910 0.00870 0.00110 -0.00200 0.00010
B2 0.00630 0.01110 0.01050 0.00090 -0.00090 -0.00160
O-H1 0.01290 0.00920 0.01690 0.00210 0.00050 -0.00120
O-H2 0.00990 0.01230 0.01430 0.00060 -0.00080 -0.00100
O1 0.01040 0.00860 0.02580 0.00130 -0.00410 -0.00630
O2 0.00740 0.01340 0.01420 0.00160 0.00150 -0.00200
O3 0.00760 0.00890 0.01500 0.00070 -0.00180 0.00000
O4 0.00730 0.01380 0.01570 0.00020 0.00030 0.00040
O5 0.00920 0.00980 0.01610 0.00100 -0.00130 -0.00100
O6 0.03350 0.11470 0.06040 0.04170 0.02480 0.06400
Mg1 0.00860 0.00860 0.03310 0.00000 0.00000 0.00000
Si1 0.00860 0.00860 0.03310 0.00000 0.00000 0.00000