data_2200380
_journal_name_full  'Acta Crystallographica, Section E'
_journal_year  2001
_journal_volume  57
_journal_page_first  i62
_journal_page_last  i63
_publ_section_title
;
Refinement of lithium tetrahydroxoborate with low-temperature
CCD data
;
loop_
_publ_author_name
  'Fronczek, Frank R.'
  'Aubry, David A.'
  'Stanley, George G.'
_chemical_formula_moiety  'Li 1+, B O4 H4 1-'
_chemical_formula_sum  'B H4 Li O4'
_chemical_formula_structural  'Li B (O H)4'
_chemical_formula_weight  85.78
_symmetry_cell_setting  'Orthorhombic'
_symmetry_space_group_name_H-M  'P b c a'
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
  '-x+1/2, -y, z+1/2'
  'x+1/2, -y+1/2, -z'
  '-x, y+1/2, -z+1/2'
  '-x, -y, -z'
  'x-1/2, y, -z-1/2'
  '-x-1/2, y-1/2, z'
  'x, -y-1/2, z-1/2'
_cell_length_a  7.9362(3)
_cell_length_b  8.5220(3)
_cell_length_c  9.1762(4)
_cell_angle_alpha  90
_cell_angle_beta  90
_cell_angle_gamma  90
_cell_volume  620.61(4)
_cell_formula_units_Z  8
_cell_measurement_temperature  120
_exptl_crystal_density_diffrn  1.836
_diffrn_ambient_temperature  120
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_type_symbol
  Li1  .1319(2)  .3741(2)  .3016(2)  .0127(4) Uani d . 1 . . Li
  B1  .32892(15)  .33617(13)  .59296(13)  .0089(2) Uani d . 1 . . B
  O1  .16392(10)  .29123(9)  .65473(9)  .00989(18) Uani d . 1 . . O
  O2  .29301(10)  .41668(9)  .45417(8)  .01158(19) Uani d . 1 . . O
  O3  .42395(10)  .44191(8)  .68819(8)  .00999(18) Uani d . 1 . . O
  O4  .43403(10)  .19150(9)  .57379(9)  .01098(18) Uani d . 1 . . O
  H1  .097(2)  .2814(19)  .5891(19)  .028(4) Uiso d . 1 . . H
  H2  .381(2)  .455(2)  .418(2)  .038(5) Uiso d . 1 . . H
  H3  .492(2)  .3964(18)  .735(2)  .027(4) Uiso d . 1 . . H
  H4  .373(2)  .117(2)  .5432(18)  .027(4) Uiso d . 1 . . H
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
  Li1  .0142(9)  .0133(9)  .0105(8)  -.0010(7)  -.0006(7)  -.0005(7)
  B1  .0090(5)  .0092(5)  .0084(5)  -.0002(4)  .0003(4)  .0005(4)
  O1  .0083(4)  .0121(4)  .0093(4)  -.0004(3)  .0004(3)  .0009(3)
  O2  .0102(4)  .0148(4)  .0098(4)  -.0032(3)  -.0011(3)  .0030(3)
  O3  .0109(4)  .0092(4)  .0099(4)  .0008(3)  -.0032(3)  -.0001(3)
  O4  .0094(4)  .0101(4)  .0135(4)  .0005(3)  -.0007(3)  -.0019(3)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
  Li1 O1 8_565 1.966(2) yes
  Li1 O2 . 1.931(2) yes
  Li1 O3 2_564 1.933(2) yes
  Li1 O4 3_456 2.022(2) yes
  B1 O1 . 1.4774(13) yes
  B1 O2 . 1.4745(14) yes
  B1 O3 . 1.4644(14) yes
  B1 O4 . 1.4989(13) yes
  O1 H1 .  .807(18) ?
  O2 H2 .  .837(19) ?
  O3 H3 .  .793(18) ?
  O4 H4 .  .845(18) ?