data_global
_chemical_name_mineral 'Wightmanite'
loop_
_publ_author_name
'Moore P B'
'Araki T'
_journal_name_full 'Nature Physical Science'
_journal_volume 236 
_journal_year 1972
_journal_page_first 25
_journal_page_last 26
_publ_section_title
;
 Wightmanite, Mg5(O)(OH)5(BO3)*nH2O, a natural drainpipe
;
_database_code_amcsd 0014684
_chemical_compound_source 'Crestmore, California, USA'
_chemical_formula_sum 'Mg5 B O10.4 H7.8'
_cell_length_a 13.46
_cell_length_b 3.1
_cell_length_c 18.17
_cell_angle_alpha 90
_cell_angle_beta 91.6
_cell_angle_gamma 90
_cell_volume 757.866
_exptl_crystal_density_diffrn      2.687
_symmetry_space_group_name_H-M 'I 1 2/m 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,1/2+z'
  'x,-y,z'
  '1/2+x,1/2-y,1/2+z'
  '-x,y,-z'
  '1/2-x,1/2+y,1/2-z'
  '-x,-y,-z'
  '1/2-x,1/2-y,1/2-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
Mg1   0.89210   0.00000   0.47380   1.00000   0.00671
Mg2   0.84240   0.00000   0.02290   1.00000   0.00925
Mg3   0.15390   0.00000   0.23230   1.00000   0.00849
Mg4   0.45000   0.00000   0.11290   1.00000   0.00937
Mg5   0.47350   0.00000   0.41820   1.00000   0.00608
B   0.24680   0.00000   0.39250   1.00000   0.01026
O1   0.00000   0.00000   0.00000   1.00000   0.01393
O2   0.50000   0.00000   0.00000   1.00000   0.01570
O3   0.32570   0.00000   0.44290   1.00000   0.01026
O4   0.15080   0.00000   0.41780   1.00000   0.01001
O5   0.26360   0.00000   0.31760   1.00000   0.00836
O-H1   0.04290   0.00000   0.15390   1.00000   0.01393
O-H2   0.41490   0.00000   0.21830   1.00000   0.00798
O-H3   0.69880   0.00000   0.05440   1.00000   0.01292
O-H4   0.95250   0.00000   0.37320   1.00000   0.01115
O-H5   0.62090   0.00000   0.40820   1.00000   0.01153
Wat1   0.68800   0.00000   0.24700   0.62500   0.07092
Wat2   0.82700   0.00000   0.24000   0.47500   0.05699
Wat3   0.76900   0.14000   0.24800   0.15000   0.03293