data_global _chemical_name_mineral 'Steedeite' loop_ _publ_author_name 'Haring M M M' 'McDonald A M' _journal_name_full 'The Canadian Mineralogist' _journal_volume 52 _journal_year 2014 _journal_page_first 47 _journal_page_last 60 _publ_section_title ; Steedeite, NaMn2[Si3BO9](OH)2: characterization, crystal-structure determination, and origin ; _database_code_amcsd 0020229 _chemical_compound_source 'Poudrette quarry, Monteregie, Quebec, Canada' _chemical_formula_sum 'Na (Mn1.9 Fe.1) Si3 B O11 H2' _cell_length_a 6.837 _cell_length_b 7.575 _cell_length_c 8.841 _cell_angle_alpha 99.91 _cell_angle_beta 102.19 _cell_angle_gamma 102.78 _cell_volume 424.812 _exptl_crystal_density_diffrn 3.174 _symmetry_space_group_name_H-M 'P -1' loop_ _space_group_symop_operation_xyz 'x,y,z' '-x,-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 Na -0.12470 0.64118 0.81008 1.00000 0.01990 Mn1 0.12800 0.87518 0.60727 0.95000 0.00946 Fe1 0.12800 0.87518 0.60727 0.05000 0.00946 Mn2 -0.38639 0.86495 0.59872 0.95000 0.01037 Fe2 -0.38639 0.86495 0.59872 0.05000 0.01037 Si1 -0.27055 0.52647 0.38313 1.00000 0.00760 Si2 -0.53952 0.74187 0.21311 1.00000 0.00800 Si3 0.01582 0.73835 0.22546 1.00000 0.00710 B -0.27980 0.87570 0.02910 1.00000 0.00570 O1 0.44150 0.07980 0.63880 1.00000 0.01010 O2 -0.18870 0.68530 0.54740 1.00000 0.01040 O3 -0.48060 0.78300 0.05240 1.00000 0.01400 O4 0.08390 0.92050 0.36860 1.00000 0.01010 O5 -0.12740 0.77080 0.06980 1.00000 0.01350 O6 0.32170 0.68410 0.59760 1.00000 0.01100 O7 -0.09390 0.55400 0.28050 1.00000 0.01170 O8 -0.79250 0.67850 0.16780 1.00000 0.01090 O9 -0.47640 0.56220 0.26880 1.00000 0.01330 OOH10 0.19850 0.92900 0.86890 1.00000 0.01270 OOH11 -0.30530 0.88050 0.86090 1.00000 0.02440 H1 0.28700 0.85500 0.91400 1.00000 0.05300 H2 -0.41700 0.76600 0.84000 1.00000 0.39000 loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 Na 0.03150 0.01760 0.01580 0.01230 0.01010 0.00500 Mn1 0.00910 0.01010 0.00850 0.00222 0.00180 0.00136 Fe1 0.00910 0.01010 0.00850 0.00222 0.00180 0.00136 Mn2 0.01000 0.00980 0.01040 0.00331 0.00130 0.00088 Fe2 0.01000 0.00980 0.01040 0.00331 0.00130 0.00088 Si1 0.00760 0.00620 0.00830 0.00160 0.00180 0.00080 Si2 0.00620 0.00780 0.00900 0.00180 0.00120 0.00010 Si3 0.00650 0.00760 0.00660 0.00180 0.00150 0.00070 B 0.00430 0.00740 0.00460 0.00200 0.00080 -0.00110 O1 0.01030 0.00860 0.00950 0.00170 0.00120 0.00000 O2 0.01100 0.00900 0.00990 0.00210 0.00230 0.00030 O3 0.01110 0.01600 0.01280 0.00040 0.00530 -0.00050 O4 0.01190 0.00880 0.00850 0.00220 0.00210 0.00020 O5 0.01440 0.01620 0.00970 0.00870 -0.00050 0.00090 O6 0.01000 0.00800 0.01550 0.00210 0.00420 0.00340 O7 0.01330 0.00950 0.01360 0.00220 0.00720 0.00280 O8 0.00670 0.01250 0.01240 0.00280 0.00240 0.00000 O9 0.01160 0.00950 0.01610 0.00410 -0.00220 0.00110 OOH10 0.01340 0.01180 0.01230 0.00370 0.00200 0.00210 OOH11 0.04240 0.03200 0.00920 0.02590 0.00910 0.00840