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 ; _database_code_amcsd 418 _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 90.0 _cell_angle_beta 93.891 _cell_angle_gamma 90.0 _cell_volume 1521.065 _exptl_crystal_density_diffrn 2.297 _symmetry_space_group_name_H-M 'P 1 21/c 1' loop_ _space_group_symop_operation_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 0.0582 0.5021 0.2243 2.0 Na2 0.4394 0.1123 0.265 2.0 Na3 0.1531 0.5519 0.0447 2.0 Na4 0.4717 0.8478 0.0948 2.0 B1 0.2594 0.7871 0.1648 2.0 B2 0.2029 0.1443 0.1691 2.0 B3 0.0419 0.8854 0.1448 2.0 B4 0.891 0.8321 0.0527 2.0 B5 0.8399 0.7129 0.1623 2.0 B6 0.7034 0.0024 0.1852 2.0 B7 0.76 0.3537 0.174 2.0 B8 0.5473 0.256 0.1454 2.0 B9 0.4216 0.3173 0.0448 2.0 B10 0.3467 0.4326 0.1491 2.0 O1 0.3509 0.6534 0.1687 2.0 O2 0.2911 0.9899 0.1748 2.0 O3 0.2324 0.3425 0.1675 2.0 O4 0.1444 0.7376 0.1465 2.0 O5 0.0842 0.0896 0.1657 2.0 O6 0.9519 0.8115 0.1839 2.0 O7 0.9987 0.905 0.0757 2.0 O8 0.8168 0.7285 0.0905 2.0 O-h9 0.8532 0.8572 -0.0107 2.0 O10 0.8494 0.4951 0.1792 2.0 O11 0.7349 0.8029 0.1911 2.0 O12 0.7901 0.1547 0.1908 2.0 O13 0.5853 0.0516 0.1735 2.0 O14 0.6471 0.4022 0.1519 2.0 O15 0.4505 0.3327 0.1795 2.0 O16 0.5159 0.2176 0.0761 2.0 O-h17 0.4102 0.2959 -0.021 2.0 O18 0.3435 0.4285 0.0778 2.0 OW1 0.3087 0.8243 0.015 2.0 OW2 -0.0412 0.3782 0.0613 2.0 H1 0.36 0.82 -0.015 0.05066 H2 0.28 0.97 0.01 0.05066 H3 -0.029 0.23 0.067 0.05066 H4 -0.055 0.415 0.103 0.05066 H5 0.91 0.93 -0.035 0.05066 H6 0.343 0.31 -0.037 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 0.0239 -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 0.0085 0.01086 0.00594 0.0 -0.00138 B3 0.00758 0.00283 0.01738 -0.00074 0.00234 -0.00206 B4 0.0158 0.0048 0.01521 0.00483 0.00117 0.0 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 0.0 0.00069 B10 0.00506 0.00654 0.01955 -0.00186 0.00234 0.00138 O1 0.00822 0.00698 0.0239 0.00111 0.0 -0.00069 O2 0.01138 0.00283 0.03911 0.00037 0.00117 -0.00206 O3 0.01327 0.0085 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 0.0072 0.01304 -0.00148 0.0 -0.00069 O7 0.01391 0.0229 0.01738 -0.00371 0.00117 0.00413 O8 0.01138 0.02268 0.01304 -0.0026 0.0 0.00138 O-h9 0.01643 0.02486 0.01738 -0.00074 0.0 0.00138 O10 0.00695 0.00959 0.02173 -0.00297 0.00117 -0.00138 O11 0.01327 0.01068 0.02173 0.0026 0.00234 0.0 O12 0.01454 0.00502 0.03693 -0.00186 0.0 0.00206 O13 0.00885 0.01308 0.01955 0.0 -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 0.0 0.00069 O16 0.01138 0.01832 0.01521 0.00371 -0.00234 -0.00138 O-h17 0.01391 0.03096 0.01521 0.00408 -0.00117 -0.00206 O18 0.01643 0.01897 0.01521 0.00371 0.00117 0.0 OW1 0.03034 0.02769 0.03476 0.00557 0.00937 0.00551 OW2 0.04045 0.02987 0.03259 0.00631 0.01289 0.0