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 0000300
_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
_cell_angle_beta 108.861
_cell_angle_gamma 90
_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   0.31940   0.46486   0.31097 ?
Na2   0.18559   0.36636   0.07246 ?
B1   0.55295   0.16774   0.42155 ?
B2   0.55325   0.23269   0.26884 ?
B3   0.57400   0.48041   0.19969 ?
B4   0.86821   0.31393   0.24181 ?
O1   0.51259   0.02511   0.39723 ?
O2   0.44033   0.09885   0.24093 ?
O3   0.76728   0.20593   0.26852 ?
O4   0.46498   0.35091   0.20892 ?
O5   0.79154   0.44846   0.21539 ?
O6   0.06226   0.29059   0.24056 ?
O7   0.58495   0.29393   0.01012 ?
O8   0.77557   0.03310   0.06811 ?
O9   0.56538   0.27256   0.36302 ?
O10   0.03886   0.06227   0.41516 ?
O11   0.16732   0.11727   0.07639 ?
H1   0.23670   0.10080   0.13150   0.04939
H2   0.10390   0.19710   0.25090   0.05446
H3   0.95710   0.11130   0.37810   0.05826
H4   0.56520   0.36750   0.04040   0.04179
H5   0.10660   0.02410   0.38170   0.06839
H6   0.71150   0.11290   0.04740   0.04179
H7   0.22430   0.46790   0.49250   0.15958
H8   0.02110   0.08220   0.07730   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 0.01980 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 0.02040 0.00385 0.00574 0.00496
O4 0.00802 0.00378 0.01137 0.00006 0.00304 0.00193
O5 0.01104 0.00892 0.02397 0.00046 0.00953 0.00220
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 0.02520 0.00952 0.01527 0.00847
O9 0.02314 0.00608 0.00870 -0.00314 0.00579 -0.00131
O10 0.02600 0.02979 0.01739 0.00890 0.00664 0.00441
O11 0.02464 0.02205 0.01784 -0.00096 0.00090 -0.00158