The compound described by Na2Cu(SO5)2 crystallizes in the monoclinic P2_1/c space group. Na(1) is bonded in a 7-coordinate geometry to one O(1), one O(3), one O(5), two equivalent O(2), and two equivalent O(4) atoms. Cu(1) is bonded in a square co-planar geometry to two equivalent O(3) and two equivalent O(5) atoms. S(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Na(1) and one S(1) atom. In the second O site, O(2) is bonded in a 1-coordinate geometry to two equivalent Na(1) and one S(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Na(1), one Cu(1), and one S(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to two equivalent Na(1) and one S(1) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Na(1) and one Cu(1) atom. is represented by the CIF file [CIF]
data_Na2Cu(SO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.849
_cell_length_b   5.466
_cell_length_c   6.246
_cell_angle_alpha   65.896
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   400.458
_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
  Na  Na0  1  0.635  0.279  0.579  1.0
  Na  Na1  1  0.135  0.221  0.421  1.0
  Na  Na2  1  0.365  0.721  0.421  1.0
  Na  Na3  1  0.865  0.779  0.579  1.0
  Cu  Cu4  1  0.500  0.500  0.000  1.0
  Cu  Cu5  1  0.000  0.000  0.000  1.0
  S  S6  1  0.618  0.968  0.238  1.0
  S  S7  1  0.118  0.532  0.762  1.0
  S  S8  1  0.382  0.032  0.762  1.0
  S  S9  1  0.882  0.468  0.238  1.0
  O  O10  1  0.660  0.072  0.995  1.0
  O  O11  1  0.160  0.428  0.005  1.0
  O  O12  1  0.340  0.928  0.005  1.0
  O  O13  1  0.840  0.572  0.995  1.0
  O  O14  1  0.562  0.714  0.295  1.0
  O  O15  1  0.062  0.786  0.705  1.0
  O  O16  1  0.438  0.286  0.705  1.0
  O  O17  1  0.938  0.214  0.295  1.0
  O  O18  1  0.536  0.172  0.252  1.0
  O  O19  1  0.036  0.328  0.748  1.0
  O  O20  1  0.464  0.828  0.748  1.0
  O  O21  1  0.964  0.672  0.252  1.0
  O  O22  1  0.696  0.949  0.414  1.0
  O  O23  1  0.196  0.551  0.586  1.0
  O  O24  1  0.304  0.051  0.586  1.0
  O  O25  1  0.804  0.449  0.414  1.0
  O  O26  1  0.621  0.515  0.857  1.0
  O  O27  1  0.121  0.985  0.143  1.0
  O  O28  1  0.379  0.485  0.143  1.0
  O  O29  1  0.879  0.015  0.857  1.0
[/CIF]
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The compound described by Na2Cu(SO5)2 crystallizes in the monoclinic P2_1/c space group. Na(1) is bonded in a 7-coordinate geometry to one O(1), one O(3), one O(5), two equivalent O(2), and two equivalent O(4) atoms. Cu(1) is bonded in a square co-planar geometry to two equivalent O(3) and two equivalent O(5) atoms. S(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Na(1) and one S(1) atom. In the second O site, O(2) is bonded in a 1-coordinate geometry to two equivalent Na(1) and one S(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Na(1), one Cu(1), and one S(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to two equivalent Na(1) and one S(1) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Na(1) and one Cu(1) atom. is represented by the CIF file [CIF]
data_Na2Cu(SO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.849
_cell_length_b   5.466
_cell_length_c   6.246
_cell_angle_alpha   65.896
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   400.458
_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
  Na  Na0  1  0.635  0.279  0.579  1.0
  Na  Na1  1  0.135  0.221  0.421  1.0
  Na  Na2  1  0.365  0.721  0.421  1.0
  Na  Na3  1  0.865  0.779  0.579  1.0
  Cu  Cu4  1  0.500  0.500  0.000  1.0
  Cu  Cu5  1  0.000  0.000  0.000  1.0
  S  S6  1  0.618  0.968  0.238  1.0
  S  S7  1  0.118  0.532  0.762  1.0
  S  S8  1  0.382  0.032  0.762  1.0
  S  S9  1  0.882  0.468  0.238  1.0
  O  O10  1  0.660  0.072  0.995  1.0
  O  O11  1  0.160  0.428  0.005  1.0
  O  O12  1  0.340  0.928  0.005  1.0
  O  O13  1  0.840  0.572  0.995  1.0
  O  O14  1  0.562  0.714  0.295  1.0
  O  O15  1  0.062  0.786  0.705  1.0
  O  O16  1  0.438  0.286  0.705  1.0
  O  O17  1  0.938  0.214  0.295  1.0
  O  O18  1  0.536  0.172  0.252  1.0
  O  O19  1  0.036  0.328  0.748  1.0
  O  O20  1  0.464  0.828  0.748  1.0
  O  O21  1  0.964  0.672  0.252  1.0
  O  O22  1  0.696  0.949  0.414  1.0
  O  O23  1  0.196  0.551  0.586  1.0
  O  O24  1  0.304  0.051  0.586  1.0
  O  O25  1  0.804  0.449  0.414  1.0
  O  O26  1  0.621  0.515  0.857  1.0
  O  O27  1  0.121  0.985  0.143  1.0
  O  O28  1  0.379  0.485  0.143  1.0
  O  O29  1  0.879  0.015  0.857  1.0
[/CIF]
.