The structure described by Li4(OH)3Br crystallizes in the monoclinic P2_1/m space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a 3-coordinate geometry to one O(2), two equivalent O(1), and one Br(1) atom. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one O(2), two equivalent O(1), and one Br(1) atom. In the third Li site, Li(3) is bonded in a 4-coordinate geometry to one O(2), two equivalent O(1), and one Br(1) atom. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(2) atom. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Li(1), one Li(3), two equivalent Li(2), and one H(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Li(1), one Li(3), two equivalent Li(2), and one H(2) atom. Br(1) is bonded in a distorted tetrahedral geometry to one Li(1), one Li(3), and two equivalent Li(2) atoms. is represented by the CIF card [CIF]
data_Li4H3BrO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.731
_cell_length_b   5.541
_cell_length_c   6.625
_cell_angle_alpha   85.978
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   283.054
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Li  Li0  1  0.750  0.922  0.919  1.0
  Li  Li1  1  0.478  0.649  0.132  1.0
  Li  Li2  1  0.022  0.649  0.132  1.0
  Li  Li3  1  0.750  0.598  0.693  1.0
  Li  Li4  1  0.250  0.402  0.307  1.0
  Li  Li5  1  0.978  0.351  0.868  1.0
  Li  Li6  1  0.522  0.351  0.868  1.0
  Li  Li7  1  0.250  0.078  0.081  1.0
  H  H8  1  0.472  0.799  0.776  1.0
  H  H9  1  0.028  0.799  0.776  1.0
  H  H10  1  0.250  0.825  0.359  1.0
  H  H11  1  0.750  0.175  0.641  1.0
  H  H12  1  0.972  0.201  0.224  1.0
  H  H13  1  0.528  0.201  0.224  1.0
  Br  Br14  1  0.750  0.828  0.332  1.0
  Br  Br15  1  0.250  0.172  0.668  1.0
  O  O16  1  0.942  0.707  0.855  1.0
  O  O17  1  0.558  0.707  0.855  1.0
  O  O18  1  0.250  0.753  0.227  1.0
  O  O19  1  0.750  0.247  0.773  1.0
  O  O20  1  0.442  0.293  0.145  1.0
  O  O21  1  0.058  0.293  0.145  1.0
[/CIF]
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The structure described by Li4(OH)3Br crystallizes in the monoclinic P2_1/m space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a 3-coordinate geometry to one O(2), two equivalent O(1), and one Br(1) atom. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one O(2), two equivalent O(1), and one Br(1) atom. In the third Li site, Li(3) is bonded in a 4-coordinate geometry to one O(2), two equivalent O(1), and one Br(1) atom. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(2) atom. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Li(1), one Li(3), two equivalent Li(2), and one H(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Li(1), one Li(3), two equivalent Li(2), and one H(2) atom. Br(1) is bonded in a distorted tetrahedral geometry to one Li(1), one Li(3), and two equivalent Li(2) atoms. is represented by the CIF card [CIF]
data_Li4H3BrO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.731
_cell_length_b   5.541
_cell_length_c   6.625
_cell_angle_alpha   85.978
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   283.054
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Li  Li0  1  0.750  0.922  0.919  1.0
  Li  Li1  1  0.478  0.649  0.132  1.0
  Li  Li2  1  0.022  0.649  0.132  1.0
  Li  Li3  1  0.750  0.598  0.693  1.0
  Li  Li4  1  0.250  0.402  0.307  1.0
  Li  Li5  1  0.978  0.351  0.868  1.0
  Li  Li6  1  0.522  0.351  0.868  1.0
  Li  Li7  1  0.250  0.078  0.081  1.0
  H  H8  1  0.472  0.799  0.776  1.0
  H  H9  1  0.028  0.799  0.776  1.0
  H  H10  1  0.250  0.825  0.359  1.0
  H  H11  1  0.750  0.175  0.641  1.0
  H  H12  1  0.972  0.201  0.224  1.0
  H  H13  1  0.528  0.201  0.224  1.0
  Br  Br14  1  0.750  0.828  0.332  1.0
  Br  Br15  1  0.250  0.172  0.668  1.0
  O  O16  1  0.942  0.707  0.855  1.0
  O  O17  1  0.558  0.707  0.855  1.0
  O  O18  1  0.250  0.753  0.227  1.0
  O  O19  1  0.750  0.247  0.773  1.0
  O  O20  1  0.442  0.293  0.145  1.0
  O  O21  1  0.058  0.293  0.145  1.0
[/CIF]
.