data_global
_amcsd_formula_title 'B H16 Li O10'
loop_
_publ_author_name
'Touboul M'
'Betourne E'
'Nowogrocki G'
_journal_name_full 'Journal of Solid State Chemistry'
_journal_volume 115 
_journal_year 1995
_journal_page_first 549
_journal_page_last 553
_publ_section_title
;
 Crystal structure and dehydration process of Li(H2O)4B(OH)4*2(H2O)
 _cod_database_code 1004127
;
_database_code_amcsd 0013859
_chemical_formula_sum 'O10 B Li H16'
_cell_length_a 6.5534
_cell_length_b 6.5534
_cell_length_c 6.1740
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 229.631
_exptl_crystal_density_diffrn      1.402
_symmetry_space_group_name_H-M 'P 3'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-y,x-y,z'
  '-x+y,-x,z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
O1   0.00000   0.00000   0.25000   1.00000
O2   0.00000   0.00000   0.70600   1.00000
O3   0.66667   0.33333   0.47500   1.00000
O4   0.89150   0.52750   0.79490   1.00000
O5   0.33333   0.66667   0.60680   1.00000
O6   0.02610   0.43200   0.18830   1.00000
B1   0.66667   0.33333   0.71350   1.00000
Li1   0.33333   0.66667   0.28950   1.00000
H1   0.00000   0.00000   0.57600   1.00000
H2   0.11000   0.09200   0.74700   0.33300
H3   0.01300   0.12200   0.21100   0.66700
H4   0.56800   0.19700   0.44000   0.33300
H5   0.74600   0.10700   0.77900   1.00000
H6   0.39400   0.58900   0.66667   0.66700
H7   0.92900   0.41900   0.28600   1.00000
H8   0.45800   0.01700   0.08100   1.00000