The material structure described by CsNa2H4O2Cl3 crystallizes in the triclinic P1 space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 2-coordinate geometry to one Cl(5) and one Cl(6) atom. In the second Cs site, Cs(2) is bonded in a 2-coordinate geometry to one Cl(5) and one Cl(6) atom. There are four inequivalent Na sites. In the first Na site, Na(1) is bonded to one O(1), one O(3), one Cl(2), one Cl(4), one Cl(5), and one Cl(6) atom to form a mixture of face and corner-sharing NaCl4O2 octahedra. The corner-sharing octahedral tilt angles range from 43-70°. In the second Na site, Na(2) is bonded to one O(2), one O(4), one Cl(1), one Cl(3), one Cl(5), and one Cl(6) atom to form a mixture of face and corner-sharing NaCl4O2 octahedra. The corner-sharing octahedral tilt angles range from 43-68°. In the third Na site, Na(3) is bonded to one O(1), one O(4), one Cl(2), one Cl(3), and two equivalent Cl(5) atoms to form a mixture of distorted face and corner-sharing NaCl4O2 octahedra. The corner-sharing octahedral tilt angles range from 2-70°. In the fourth Na site, Na(4) is bonded to one O(2), one O(3), one Cl(1), one Cl(4), and two equivalent Cl(6) atoms to form a mixture of distorted face and corner-sharing NaCl4O2 octahedra. The corner-sharing octahedral tilt angles range from 1-69°. There are eight 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. In the third H site, H(3) is bonded in a single-bond geometry to one O(3) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(4) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one O(1) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one O(2) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one O(3) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one O(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted water-like geometry to one Na(1), one Na(3), one H(1), and one H(5) atom. In the second O site, O(2) is bonded in a distorted water-like geometry to one Na(2), one Na(4), one H(2), and one H(6) atom. In the third O site, O(3) is bonded in a distorted water-like geometry to one Na(1), one Na(4), one H(3), and one H(7) atom. In the fourth O site, O(4) is bonded in a distorted water-like geometry to one Na(2), one Na(3), one H(4), and one H(8) atom. There are six inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a 2-coordinate geometry to one Na(2) and one Na(4) atom. In the second Cl site, Cl(2) is bonded in a 2-coordinate geometry to one Na(1) and one Na(3) atom. In the third Cl site, Cl(3) is bonded in a 2-coordinate geometry to one Na(2) and one Na(3) atom. In the fourth Cl site, Cl(4) is bonded in a 2-coordinate geometry to one Na(1) and one Na(4) atom. In the fifth Cl site, Cl(5) is bonded to one Cs(1), one Cs(2), one Na(1), one Na(2), and two equivalent Na(3) atoms to form distorted corner-sharing ClCs2Na4 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the sixth Cl site, Cl(6) is bonded to one Cs(1), one Cs(2), one Na(1), one Na(2), and two equivalent Na(4) atoms to form distorted corner-sharing ClCs2Na4 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. is represented by the CIF file [CIF]
data_CsNa2H4Cl3O2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.892
_cell_length_b   9.091
_cell_length_c   9.316
_cell_angle_alpha   71.970
_cell_angle_beta   71.682
_cell_angle_gamma   71.164
_symmetry_Int_Tables_number   1
_cell_volume   436.155
_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
  Cs  Cs0  1  0.495  0.001  0.497  1.0
  Cs  Cs1  1  0.998  0.498  0.998  1.0
  Na  Na2  1  0.997  0.505  0.497  1.0
  Na  Na3  1  0.998  0.001  0.997  1.0
  Na  Na4  1  0.672  0.249  0.747  1.0
  Na  Na5  1  0.342  0.750  0.247  1.0
  H  H6  1  0.575  0.594  0.757  1.0
  H  H7  1  0.069  0.096  0.256  1.0
  H  H8  1  0.427  0.406  0.239  1.0
  H  H9  1  0.927  0.907  0.741  1.0
  H  H10  1  0.452  0.591  0.633  1.0
  H  H11  1  0.315  0.095  0.129  1.0
  H  H12  1  0.541  0.403  0.369  1.0
  H  H13  1  0.681  0.904  0.867  1.0
  Cl  Cl14  1  0.429  0.759  0.926  1.0
  Cl  Cl15  1  0.891  0.260  0.423  1.0
  Cl  Cl16  1  0.570  0.241  0.076  1.0
  Cl  Cl17  1  0.104  0.747  0.575  1.0
  Cl  Cl18  1  0.181  0.247  0.752  1.0
  Cl  Cl19  1  0.818  0.751  0.245  1.0
  O  O20  1  0.599  0.536  0.677  1.0
  O  O21  1  0.184  0.036  0.179  1.0
  O  O22  1  0.404  0.466  0.317  1.0
  O  O23  1  0.812  0.963  0.822  1.0
[/CIF]
.
The material structure described by CsNa2H4O2Cl3 crystallizes in the triclinic P1 space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 2-coordinate geometry to one Cl(5) and one Cl(6) atom. In the second Cs site, Cs(2) is bonded in a 2-coordinate geometry to one Cl(5) and one Cl(6) atom. There are four inequivalent Na sites. In the first Na site, Na(1) is bonded to one O(1), one O(3), one Cl(2), one Cl(4), one Cl(5), and one Cl(6) atom to form a mixture of face and corner-sharing NaCl4O2 octahedra. The corner-sharing octahedral tilt angles range from 43-70°. In the second Na site, Na(2) is bonded to one O(2), one O(4), one Cl(1), one Cl(3), one Cl(5), and one Cl(6) atom to form a mixture of face and corner-sharing NaCl4O2 octahedra. The corner-sharing octahedral tilt angles range from 43-68°. In the third Na site, Na(3) is bonded to one O(1), one O(4), one Cl(2), one Cl(3), and two equivalent Cl(5) atoms to form a mixture of distorted face and corner-sharing NaCl4O2 octahedra. The corner-sharing octahedral tilt angles range from 2-70°. In the fourth Na site, Na(4) is bonded to one O(2), one O(3), one Cl(1), one Cl(4), and two equivalent Cl(6) atoms to form a mixture of distorted face and corner-sharing NaCl4O2 octahedra. The corner-sharing octahedral tilt angles range from 1-69°. There are eight 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. In the third H site, H(3) is bonded in a single-bond geometry to one O(3) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(4) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one O(1) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one O(2) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one O(3) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one O(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted water-like geometry to one Na(1), one Na(3), one H(1), and one H(5) atom. In the second O site, O(2) is bonded in a distorted water-like geometry to one Na(2), one Na(4), one H(2), and one H(6) atom. In the third O site, O(3) is bonded in a distorted water-like geometry to one Na(1), one Na(4), one H(3), and one H(7) atom. In the fourth O site, O(4) is bonded in a distorted water-like geometry to one Na(2), one Na(3), one H(4), and one H(8) atom. There are six inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a 2-coordinate geometry to one Na(2) and one Na(4) atom. In the second Cl site, Cl(2) is bonded in a 2-coordinate geometry to one Na(1) and one Na(3) atom. In the third Cl site, Cl(3) is bonded in a 2-coordinate geometry to one Na(2) and one Na(3) atom. In the fourth Cl site, Cl(4) is bonded in a 2-coordinate geometry to one Na(1) and one Na(4) atom. In the fifth Cl site, Cl(5) is bonded to one Cs(1), one Cs(2), one Na(1), one Na(2), and two equivalent Na(3) atoms to form distorted corner-sharing ClCs2Na4 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the sixth Cl site, Cl(6) is bonded to one Cs(1), one Cs(2), one Na(1), one Na(2), and two equivalent Na(4) atoms to form distorted corner-sharing ClCs2Na4 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. is represented by the CIF file [CIF]
data_CsNa2H4Cl3O2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.892
_cell_length_b   9.091
_cell_length_c   9.316
_cell_angle_alpha   71.970
_cell_angle_beta   71.682
_cell_angle_gamma   71.164
_symmetry_Int_Tables_number   1
_cell_volume   436.155
_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
  Cs  Cs0  1  0.495  0.001  0.497  1.0
  Cs  Cs1  1  0.998  0.498  0.998  1.0
  Na  Na2  1  0.997  0.505  0.497  1.0
  Na  Na3  1  0.998  0.001  0.997  1.0
  Na  Na4  1  0.672  0.249  0.747  1.0
  Na  Na5  1  0.342  0.750  0.247  1.0
  H  H6  1  0.575  0.594  0.757  1.0
  H  H7  1  0.069  0.096  0.256  1.0
  H  H8  1  0.427  0.406  0.239  1.0
  H  H9  1  0.927  0.907  0.741  1.0
  H  H10  1  0.452  0.591  0.633  1.0
  H  H11  1  0.315  0.095  0.129  1.0
  H  H12  1  0.541  0.403  0.369  1.0
  H  H13  1  0.681  0.904  0.867  1.0
  Cl  Cl14  1  0.429  0.759  0.926  1.0
  Cl  Cl15  1  0.891  0.260  0.423  1.0
  Cl  Cl16  1  0.570  0.241  0.076  1.0
  Cl  Cl17  1  0.104  0.747  0.575  1.0
  Cl  Cl18  1  0.181  0.247  0.752  1.0
  Cl  Cl19  1  0.818  0.751  0.245  1.0
  O  O20  1  0.599  0.536  0.677  1.0
  O  O21  1  0.184  0.036  0.179  1.0
  O  O22  1  0.404  0.466  0.317  1.0
  O  O23  1  0.812  0.963  0.822  1.0
[/CIF]
.