data_global
_chemical_name_mineral 'Pinakiolite'
loop_
_publ_author_name
'Moore P B'
'Araki T'
_journal_name_full 'American Mineralogist'
_journal_volume 59
_journal_year 1974
_journal_page_first 985
_journal_page_last 1004
_publ_section_title
;
 Pinakiolite, Mg2MnO2[BO3]; warwickite, Mg(Mg0.5Ti0.5)O[BO3]; wightmanite,
 Mg5(O)(OH)5[BO3].nH2O: Crystal chemistry of complex 3 Angstrom wallpaper
 structures
;
_database_code_amcsd 416
_chemical_compound_source 'Langban, Sweden'
_chemical_formula_sum 'Mn2.16 Mg3.62 Fe.02 B2 O10'
_cell_length_a 21.79
_cell_length_b 5.977
_cell_length_c 5.341
_cell_angle_alpha 90.0
_cell_angle_beta 95.83
_cell_angle_gamma 90.0
_cell_volume 692.008
_exptl_crystal_density_diffrn  3.737
_symmetry_space_group_name_H-M 'C 1 2/m 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  'x,-y,z'
  '1/2+x,1/2-y,z'
  '-x,y,-z'
  '1/2-x,1/2+y,-z'
  '-x,-y,-z'
  '1/2-x,1/2-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   0.5  0.5  0.0  1.0  0.00925
Mn2   0.5  0.5  0.5  1.0  0.00887
Mn3   0.2503  0.0  0.4993  1.0  0.00722
Mg1   0.5  0.0  0.0  0.83  0.0247
Mg2   0.5  0.0  0.5  0.77  0.02609
Mg3   0.25  0.25  0.0  0.84  0.0076
Mn3   0.25  0.25  0.0  0.16  0.0076
Mg4   0.3869  0.2497  0.7072  0.99  0.00811
Fe4   0.3869  0.2497  0.7072  0.01  0.00811
B1   0.1344  0.0  0.8055  1.0  0.00722
B2   0.3692  0.0  0.1986  1.0  0.01077
O1   0.3972  0.5  -0.0162  1.0  0.00925
O2   0.3959  0.5  0.4344  1.0  0.00823
O3   0.1908  0.0  0.8332  1.0  0.00937
O4   0.4014  0.0  -0.0166  1.0  0.01292
O5   0.4002  0.0  0.4397  1.0  0.01191
O6   0.3058  0.0  0.1713  1.0  0.01127
O7   0.5138  0.2755  0.2556  1.0  0.01165
O8   0.2937  0.2502  0.6775  1.0  0.00963