The compound described by Li4H3O3Cl 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(1), two equivalent O(2), and one Cl(1) atom. In the second Li site, Li(2) is bonded in a distorted tetrahedral geometry to one O(1), two equivalent O(2), and one Cl(1) atom. In the third Li site, Li(3) is bonded in a 4-coordinate geometry to one O(1), two equivalent O(2), and one Cl(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(2), two equivalent Li(3), 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(2), two equivalent Li(3), and one H(2) atom. Cl(1) is bonded in a distorted tetrahedral geometry to one Li(1), one Li(2), and two equivalent Li(3) atoms. is represented by the CIF file [CIF]
data_Li4H3ClO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.552
_cell_length_b   5.512
_cell_length_c   6.338
_cell_angle_alpha   85.617
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   263.076
_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  0.928  0.918  1.0
  Li  Li1  1  0.250  0.072  0.082  1.0
  Li  Li2  1  0.750  0.610  0.668  1.0
  Li  Li3  1  0.250  0.390  0.332  1.0
  Li  Li4  1  0.515  0.353  0.857  1.0
  Li  Li5  1  0.015  0.647  0.143  1.0
  Li  Li6  1  0.485  0.647  0.143  1.0
  Li  Li7  1  0.985  0.353  0.857  1.0
  H  H8  1  0.750  0.179  0.619  1.0
  H  H9  1  0.250  0.821  0.381  1.0
  H  H10  1  0.536  0.192  0.228  1.0
  H  H11  1  0.036  0.808  0.772  1.0
  H  H12  1  0.464  0.808  0.772  1.0
  H  H13  1  0.964  0.192  0.228  1.0
  Cl  Cl14  1  0.750  0.822  0.318  1.0
  Cl  Cl15  1  0.250  0.178  0.682  1.0
  O  O16  1  0.750  0.252  0.754  1.0
  O  O17  1  0.250  0.748  0.246  1.0
  O  O18  1  0.555  0.711  0.847  1.0
  O  O19  1  0.055  0.289  0.153  1.0
  O  O20  1  0.445  0.289  0.153  1.0
  O  O21  1  0.945  0.711  0.847  1.0
[/CIF]
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The compound described by Li4H3O3Cl 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(1), two equivalent O(2), and one Cl(1) atom. In the second Li site, Li(2) is bonded in a distorted tetrahedral geometry to one O(1), two equivalent O(2), and one Cl(1) atom. In the third Li site, Li(3) is bonded in a 4-coordinate geometry to one O(1), two equivalent O(2), and one Cl(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(2), two equivalent Li(3), 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(2), two equivalent Li(3), and one H(2) atom. Cl(1) is bonded in a distorted tetrahedral geometry to one Li(1), one Li(2), and two equivalent Li(3) atoms. is represented by the CIF file [CIF]
data_Li4H3ClO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.552
_cell_length_b   5.512
_cell_length_c   6.338
_cell_angle_alpha   85.617
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   263.076
_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  0.928  0.918  1.0
  Li  Li1  1  0.250  0.072  0.082  1.0
  Li  Li2  1  0.750  0.610  0.668  1.0
  Li  Li3  1  0.250  0.390  0.332  1.0
  Li  Li4  1  0.515  0.353  0.857  1.0
  Li  Li5  1  0.015  0.647  0.143  1.0
  Li  Li6  1  0.485  0.647  0.143  1.0
  Li  Li7  1  0.985  0.353  0.857  1.0
  H  H8  1  0.750  0.179  0.619  1.0
  H  H9  1  0.250  0.821  0.381  1.0
  H  H10  1  0.536  0.192  0.228  1.0
  H  H11  1  0.036  0.808  0.772  1.0
  H  H12  1  0.464  0.808  0.772  1.0
  H  H13  1  0.964  0.192  0.228  1.0
  Cl  Cl14  1  0.750  0.822  0.318  1.0
  Cl  Cl15  1  0.250  0.178  0.682  1.0
  O  O16  1  0.750  0.252  0.754  1.0
  O  O17  1  0.250  0.748  0.246  1.0
  O  O18  1  0.555  0.711  0.847  1.0
  O  O19  1  0.055  0.289  0.153  1.0
  O  O20  1  0.445  0.289  0.153  1.0
  O  O21  1  0.945  0.711  0.847  1.0
[/CIF]
.