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 260
_chemical_formula_sum 'Mg B6 O15 H9'
_cell_length_a 12.54
_cell_length_b 24.327
_cell_length_c 7.48
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_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   0.4316  0.1279  0.0542  0.00849
B1   0.6592  0.3673  0.3902  0.01039
B2   0.5015  0.3358  0.1876  0.01089
B3   0.5303  0.4387  0.2506  0.01001
B4   0.6577  0.2761  0.245  0.01077
B5   0.4553  0.4053  -0.0318  0.01051
B6   0.713  0.4635  0.3434  0.01039
O1   0.7141  0.3181  0.333  0.01178
O-H2   0.5967  0.3586  0.5529  0.01368
O3   0.5767  0.3814  0.2491  0.00811
O4   0.7338  0.4125  0.402  0.01203
O5   0.5593  0.2842  0.1821  0.01203
O-H6   0.4143  0.3331  0.3133  0.01267
O7   0.4669  0.3509  0.0081  0.01317
O8   0.4743  0.4465  0.0835  0.01165
O-H9   0.4606  0.4438  0.4074  0.01355
O10   0.6178  0.4777  0.2659  0.01355
O-H11   0.6977  0.2244  0.2442  0.02254
O-H12   0.4273  0.4178  -0.2081  0.01292
O-H13   0.7878  0.5048  0.3526  0.02102
O-H14   0.2659  0.1127  0.0541  0.02432
Wat15   0.414  0.1996  0.2065  0.01216