data_global _chemical_name_mineral 'Kernite' loop_ _publ_author_name 'Cooper W F' 'Larsen F K' 'Coppens P' 'Giese R F' _journal_name_full 'American Mineralogist' _journal_volume 58 _journal_year 1973 _journal_page_first 21 _journal_page_last 31 _publ_section_title ; Electron population analysis of accurate diffraction data. V. Structure and one-center charge refinement of the light-atom mineral kernite, Na2B4O6(OH)2.3H2O Extended L-Shell refinement ; _database_code_amcsd 300 _chemical_formula_sum 'Na2 B4 O11 H8' _cell_length_a 7.0172 _cell_length_b 9.1582 _cell_length_c 15.6774 _cell_angle_alpha 90.0 _cell_angle_beta 108.861 _cell_angle_gamma 90.0 _cell_volume 953.409 _exptl_crystal_density_diffrn 1.904 _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 0.3194 0.46486 0.31097 2.0 Na2 0.18559 0.36636 0.07246 2.0 B1 0.55295 0.16774 0.42155 2.0 B2 0.55325 0.23269 0.26884 2.0 B3 0.574 0.48041 0.19969 2.0 B4 0.86821 0.31393 0.24181 2.0 O1 0.51259 0.02511 0.39723 2.0 O2 0.44033 0.09885 0.24093 2.0 O3 0.76728 0.20593 0.26852 2.0 O4 0.46498 0.35091 0.20892 2.0 O5 0.79154 0.44846 0.21539 2.0 O6 0.06226 0.29059 0.24056 2.0 O7 0.58495 0.29393 0.01012 2.0 O8 0.77557 0.0331 0.06811 2.0 O9 0.56538 0.27256 0.36302 2.0 O10 0.03886 0.06227 0.41516 2.0 O11 0.16732 0.11727 0.07639 2.0 H1 0.2367 0.1008 0.1315 0.04939 H2 0.1039 0.1971 0.2509 0.05446 H3 0.9571 0.1113 0.3781 0.05826 H4 0.5652 0.3675 0.0404 0.04179 H5 0.1066 0.0241 0.3817 0.06839 H6 0.7115 0.1129 0.0474 0.04179 H7 0.2243 0.4679 0.4925 0.15958 H8 0.0211 0.0822 0.0773 0.10005 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 0.02464 0.01462 0.02609 0.00111 0.01582 0.00083 Na2 0.02955 0.0198 0.03234 -0.00129 -0.00454 0.00096 B1 0.01579 0.00858 0.01015 -0.00065 0.00484 -0.00213 B2 0.01007 0.00472 0.00959 0.00018 0.00464 0.00069 B3 0.01007 0.00472 0.00948 0.00018 0.00464 0.00069 B4 0.00898 0.01181 0.01628 0.00077 0.00444 -0.00103 O1 0.02491 0.00565 0.00781 -0.00163 0.00714 -0.00055 O2 0.01564 0.00374 0.00803 -0.00234 0.00314 0.00021 O3 0.00994 0.00931 0.0204 0.00385 0.00574 0.00496 O4 0.00802 0.00378 0.01137 6e-05 0.00304 0.00193 O5 0.01104 0.00892 0.02397 0.00046 0.00953 0.0022 O6 0.01104 0.01857 0.04371 0.00262 0.01293 0.00103 O7 0.05645 0.01168 0.00948 0.01029 0.01308 0.00296 O8 0.03719 0.02566 0.0252 0.00952 0.01527 0.00847 O9 0.02314 0.00608 0.0087 -0.00314 0.00579 -0.00131 O10 0.026 0.02979 0.01739 0.0089 0.00664 0.00441 O11 0.02464 0.02205 0.01784 -0.00096 0.0009 -0.00158