data_global
_chemical_name_mineral 'Pinnoite'
loop_
_publ_author_name
'Krogh-Moe J'
_journal_name_full 'Acta Crystallographica'
_journal_volume 23 
_journal_year 1967
_journal_page_first 500
_journal_page_last 501
_publ_section_title
;
 A note on the structure of pinnoite
;
_database_code_amcsd 0009314
_chemical_formula_sum 'Mg B2 O7 H6'
_cell_length_a 7.62
_cell_length_b 7.62
_cell_length_c 8.19
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 475.547
_exptl_crystal_density_diffrn      2.290
_symmetry_space_group_name_H-M 'P 42'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-y,x,1/2+z'
  '-x,-y,z'
  'y,-x,1/2+z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Mg   0.24870   0.24870   0.22900   0.00811
B1   0.38830   0.37610   0.87380   0.00266
B2   0.11190   0.10910   0.58300   0.01203
O1   0.00000   0.00000   0.98410   0.01077
O2   0.50000   0.50000   0.45120   0.00823
O-H3   0.33520   0.23880   0.99160   0.01064
O-H4   0.15980   0.26380   0.47090   0.01203
O-H5   0.47950   0.29130   0.73000   0.00405
O-H6   0.01760   0.19790   0.71830   0.01115
O-H7   0.24500   0.48230   0.80280   0.00684
O-H8   0.27040   0.01760   0.63870   0.00545