data_global
_chemical_name_mineral 'Aksaite'
loop_
_publ_author_name
'Dal Negro A'
'Ungaretti L'
'Sabelli C'
_journal_name_full 'American Mineralogist'
_journal_volume 56 
_journal_year 1971
_journal_page_first 1553
_journal_page_last 1566
_publ_section_title
;
 The crystal structure of aksaite
;
_database_code_amcsd 0000260
_chemical_formula_sum 'Mg B6 O15 H9'
_cell_length_a 12.540
_cell_length_b 24.327
_cell_length_c 7.480
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 2281.853
_exptl_crystal_density_diffrn      1.969
_symmetry_space_group_name_H-M 'P b c a'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2-y,1/2+z'
  '-x,1/2+y,1/2-z'
  '1/2-x,1/2+y,z'
  '1/2+x,1/2-y,-z'
  '1/2+x,y,1/2-z'
  '1/2-x,-y,1/2+z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Mg   0.43160   0.12790   0.05420   0.00849
B1   0.65920   0.36730   0.39020   0.01039
B2   0.50150   0.33580   0.18760   0.01089
B3   0.53030   0.43870   0.25060   0.01001
B4   0.65770   0.27610   0.24500   0.01077
B5   0.45530   0.40530  -0.03180   0.01051
B6   0.71300   0.46350   0.34340   0.01039
O1   0.71410   0.31810   0.33300   0.01178
O-H2   0.59670   0.35860   0.55290   0.01368
O3   0.57670   0.38140   0.24910   0.00811
O4   0.73380   0.41250   0.40200   0.01203
O5   0.55930   0.28420   0.18210   0.01203
O-H6   0.41430   0.33310   0.31330   0.01267
O7   0.46690   0.35090   0.00810   0.01317
O8   0.47430   0.44650   0.08350   0.01165
O-H9   0.46060   0.44380   0.40740   0.01355
O10   0.61780   0.47770   0.26590   0.01355
O-H11   0.69770   0.22440   0.24420   0.02254
O-H12   0.42730   0.41780  -0.20810   0.01292
O-H13   0.78780   0.50480   0.35260   0.02102
O-H14   0.26590   0.11270   0.05410   0.02432
Wat15   0.41400   0.19960   0.20650   0.01216