data_global _chemical_name_mineral 'Aristarainite' loop_ _publ_author_name 'Ghose S' 'Wan C' _journal_name_full 'American Mineralogist' _journal_volume 62 _journal_year 1977 _journal_page_first 979 _journal_page_last 989 _publ_section_title ; Aristarainite: Na2Mg[B6O8(OH)4]2.4H2O: a sheet structure with chains of hexaborate polyanions ; _database_code_amcsd 0000598 _chemical_formula_sum 'Mg Na2 B12 O28 H16' _cell_length_a 18.886 _cell_length_b 7.521 _cell_length_c 7.815 _cell_angle_alpha 90 _cell_angle_beta 97.72 _cell_angle_gamma 90 _cell_volume 1099.994 _exptl_crystal_density_diffrn 2.005 _symmetry_space_group_name_H-M 'P 1 21/a 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2-y,z' '1/2-x,1/2+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 Mg 0.00000 0.00000 0.00000 1.00000 ? Na 0.15952 0.35960 0.28990 1.00000 ? B1 0.43470 0.34600 0.32640 1.00000 ? B2 0.38760 0.19740 0.03350 1.00000 ? B3 0.30083 0.40000 0.18340 1.00000 ? B4 0.47496 0.04830 0.25330 1.00000 ? B5 0.25658 0.15480 0.98880 1.00000 ? B6 0.33928 0.44160 0.49610 1.00000 ? O1 0.47237 0.17900 0.37090 1.00000 ? O-h2 0.48064 0.47340 0.25410 1.00000 ? O3 0.37300 0.30840 0.18640 1.00000 ? O4 0.40957 0.41210 0.48140 1.00000 ? O5 0.43580 0.05150 0.09430 1.00000 ? O-h6 0.42279 0.31540 0.91880 1.00000 ? O7 0.32265 0.12400 0.94210 1.00000 ? O8 0.24590 0.28060 0.10690 1.00000 ? O9 0.19713 0.06300 0.91680 1.00000 ? O10 0.28768 0.43730 0.35790 1.00000 ? O-h11 0.48078 0.09530 0.70710 1.00000 ? O12 0.31871 0.48000 0.65370 1.00000 ? OW13 0.08086 0.20360 0.03880 1.00000 ? OW14 0.16514 0.37790 0.59310 1.00000 ? H1 0.48900 0.49100 0.66700 1.00000 0.01013 H2 0.43800 0.23800 0.84200 1.00000 0.01520 H3 0.47600 0.11800 0.59900 1.00000 0.01773 H4 0.34800 0.44400 0.74100 1.00000 0.01773 H5 0.07300 0.30900 0.98300 1.00000 0.01267 H6 0.11900 0.16100 -0.00700 1.00000 0.03040 H7 0.16600 0.50200 0.56200 1.00000 0.04053 H8a 0.18400 0.36700 0.71500 0.50000 0.06333 H8b 0.11700 0.28900 0.58500 0.50000 0.04559 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 Mg 0.01242 0.01588 0.01246 0.00321 0.00125 0.00027 Na 0.02786 0.06820 0.03217 -0.01191 -0.00007 -0.00891 B1 0.01171 0.01513 0.01063 0.00043 -0.00073 -0.00080 B2 0.01153 0.01347 0.01279 0.00000 0.00206 -0.00080 B3 0.01100 0.01559 0.01145 0.00157 0.00095 -0.00121 B4 0.02076 0.01888 0.01589 0.00478 0.00675 0.00192 B5 0.01384 0.01229 0.01361 -0.00064 0.00066 0.00189 B6 0.01810 0.01960 0.01565 0.00278 0.00272 -0.00059 O1 0.02023 0.01963 0.01443 0.00649 -0.00272 -0.00015 O-h2 0.01668 0.02442 0.01170 -0.00784 -0.00007 -0.00083 O3 0.01065 0.01393 0.01076 0.00107 -0.00007 -0.00089 O4 0.01473 0.02215 0.01142 0.00014 0.00103 -0.00271 O5 0.01863 0.01593 0.01443 0.00492 0.00103 -0.00091 O-h6 0.01331 0.01513 0.01285 -0.00178 0.00308 -0.00177 O7 0.01171 0.02072 0.01677 -0.00378 0.00228 -0.00614 O8 0.01082 0.01831 0.02066 -0.00221 0.00242 -0.00522 O9 0.01011 0.01768 0.02379 -0.00150 0.00066 -0.00614 O10 0.01419 0.03020 0.01376 0.00570 0.00140 -0.00336 O-h11 0.06033 0.03654 0.01227 0.03423 0.00279 0.00316 O12 0.02431 0.06218 0.01331 0.01612 0.00250 -0.00454 OW13 0.01544 0.01923 0.02400 0.00057 0.00301 0.00180 OW14 0.06955 0.09907 0.07222 0.01241 0.02790 0.00077