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 0000416 _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 _cell_angle_beta 95.83 _cell_angle_gamma 90 _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 0.50000 0.50000 0.00000 1.00000 0.00925 Mn2 0.50000 0.50000 0.50000 1.00000 0.00887 Mn3 0.25030 0.00000 0.49930 1.00000 0.00722 Mg1 0.50000 0.00000 0.00000 0.83000 0.02470 Mg2 0.50000 0.00000 0.50000 0.77000 0.02609 Mg3 0.25000 0.25000 0.00000 0.84000 0.00760 Mn3 0.25000 0.25000 0.00000 0.16000 0.00760 Mg4 0.38690 0.24970 0.70720 0.99000 0.00811 Fe4 0.38690 0.24970 0.70720 0.01000 0.00811 B1 0.13440 0.00000 0.80550 1.00000 0.00722 B2 0.36920 0.00000 0.19860 1.00000 0.01077 O1 0.39720 0.50000 -0.01620 1.00000 0.00925 O2 0.39590 0.50000 0.43440 1.00000 0.00823 O3 0.19080 0.00000 0.83320 1.00000 0.00937 O4 0.40140 0.00000 -0.01660 1.00000 0.01292 O5 0.40020 0.00000 0.43970 1.00000 0.01191 O6 0.30580 0.00000 0.17130 1.00000 0.01127 O7 0.51380 0.27550 0.25560 1.00000 0.01165 O8 0.29370 0.25020 0.67750 1.00000 0.00963