data_9000291
_chemical_name '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
;
_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
_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_Uiso_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