data_global _chemical_name_mineral 'Biringuccite' loop_ _publ_author_name 'Corazza E' 'Menchetti S' 'Sabelli C' _journal_name_full 'American Mineralogist' _journal_volume 59 _journal_year 1974 _journal_page_first 1005 _journal_page_last 1015 _publ_section_title ; The crystal structure of biringuccite, Na4[B10O16(OH)2].2H2O ; _chemical_formula_sum 'Na2 B5 O10 H3' _cell_length_a 11.1955 _cell_length_b 6.5607 _cell_length_c 20.7566 _cell_angle_alpha 90 _cell_angle_beta 93.891 _cell_angle_gamma 90 _cell_volume 1521.065 _exptl_crystal_density_diffrn 2.297 _symmetry_space_group_name_H-M 'P 1 21/c 1' loop_ _symmetry_equiv_pos_as_xyz 'x,y,z' 'x,1/2-y,1/2+z' '-x,1/2+y,1/2-z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv Na1 0.05820 0.50210 0.22430 ? Na2 0.43940 0.11230 0.26500 ? Na3 0.15310 0.55190 0.04470 ? Na4 0.47170 0.84780 0.09480 ? B1 0.25940 0.78710 0.16480 ? B2 0.20290 0.14430 0.16910 ? B3 0.04190 0.88540 0.14480 ? B4 0.89100 0.83210 0.05270 ? B5 0.83990 0.71290 0.16230 ? B6 0.70340 0.00240 0.18520 ? B7 0.76000 0.35370 0.17400 ? B8 0.54730 0.25600 0.14540 ? B9 0.42160 0.31730 0.04480 ? B10 0.34670 0.43260 0.14910 ? O1 0.35090 0.65340 0.16870 ? O2 0.29110 0.98990 0.17480 ? O3 0.23240 0.34250 0.16750 ? O4 0.14440 0.73760 0.14650 ? O5 0.08420 0.08960 0.16570 ? O6 0.95190 0.81150 0.18390 ? O7 0.99870 0.90500 0.07570 ? O8 0.81680 0.72850 0.09050 ? O-h9 0.85320 0.85720 -0.01070 ? O10 0.84940 0.49510 0.17920 ? O11 0.73490 0.80290 0.19110 ? O12 0.79010 0.15470 0.19080 ? O13 0.58530 0.05160 0.17350 ? O14 0.64710 0.40220 0.15190 ? O15 0.45050 0.33270 0.17950 ? O16 0.51590 0.21760 0.07610 ? O-h17 0.41020 0.29590 -0.02100 ? O18 0.34350 0.42850 0.07780 ? OW1 0.30870 0.82430 0.01500 ? OW2 -0.04120 0.37820 0.06130 ? H1 0.36000 0.82000 -0.01500 0.05066 H2 0.28000 0.97000 0.01000 0.05066 H3 -0.02900 0.23000 0.06700 0.05066 H4 -0.05500 0.41500 0.10300 0.05066 H5 0.91000 0.93000 -0.03500 0.05066 H6 0.34300 0.31000 -0.03700 0.05066 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 Na1 0.01707 0.02835 0.02390 -0.00037 -0.00234 0.01101 Na2 0.02023 0.02181 0.01955 -0.00074 0.00117 0.00619 Na3 0.02023 0.03947 0.02824 0.00408 -0.00352 -0.00895 Na4 0.02339 0.02551 0.01738 -0.00371 0.00352 -0.00275 B1 0.01264 0.01417 0.00869 0.00111 0.00469 -0.00069 B2 0.01138 0.00850 0.01086 0.00594 0.00000 -0.00138 B3 0.00758 0.00283 0.01738 -0.00074 0.00234 -0.00206 B4 0.01580 0.00480 0.01521 0.00483 0.00117 0.00000 B5 0.00569 0.00567 0.01738 -0.00037 0.00234 0.00069 B6 0.01011 0.01417 0.01086 -0.00148 0.00352 0.00069 B7 0.01011 0.00959 0.01521 -0.00074 0.00469 -0.00138 B8 0.00758 0.00283 0.01738 0.00037 0.00234 0.00206 B9 0.01074 0.01396 0.01304 -0.00668 0.00000 0.00069 B10 0.00506 0.00654 0.01955 -0.00186 0.00234 0.00138 O1 0.00822 0.00698 0.02390 0.00111 0.00000 -0.00069 O2 0.01138 0.00283 0.03911 0.00037 0.00117 -0.00206 O3 0.01327 0.00850 0.01955 -0.00186 0.00234 0.00138 O4 0.00758 0.01352 0.01955 0.00148 -0.00234 -0.00275 O5 0.01327 0.00916 0.02607 -0.00148 0.00234 0.00069 O6 0.00948 0.00720 0.01304 -0.00148 0.00000 -0.00069 O7 0.01391 0.02290 0.01738 -0.00371 0.00117 0.00413 O8 0.01138 0.02268 0.01304 -0.00260 0.00000 0.00138 Oh9 0.01643 0.02486 0.01738 -0.00074 0.00000 0.00138 O10 0.00695 0.00959 0.02173 -0.00297 0.00117 -0.00138 O11 0.01327 0.01068 0.02173 0.00260 0.00234 0.00000 O12 0.01454 0.00502 0.03693 -0.00186 0.00000 0.00206 O13 0.00885 0.01308 0.01955 0.00000 -0.00117 0.00069 O14 0.01011 0.01505 0.01955 -0.00371 -0.00352 0.00413 O15 0.01011 0.01068 0.01304 0.00148 0.00000 0.00069 O16 0.01138 0.01832 0.01521 0.00371 -0.00234 -0.00138 Oh17 0.01391 0.03096 0.01521 0.00408 -0.00117 -0.00206 O18 0.01643 0.01897 0.01521 0.00371 0.00117 0.00000 OW1 0.03034 0.02769 0.03476 0.00557 0.00937 0.00551 OW2 0.04045 0.02987 0.03259 0.00631 0.01289 0.00000