The material structure described by Na2Cu(SeO5)2 crystallizes in the triclinic P-1 space group. Na(1) is bonded in a 6-coordinate geometry to 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(1) and two equivalent O(5) atoms. Se(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 120 degrees geometry to one Cu(1) and one Se(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Na(1) and one Se(1) atom. In the third O site, O(3) is bonded in a water-like geometry to one Na(1) and one Se(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to two equivalent Na(1) and one Se(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(SeO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.604
_cell_length_b   6.551
_cell_length_c   7.180
_cell_angle_alpha   102.307
_cell_angle_beta   103.643
_cell_angle_gamma   113.200
_symmetry_Int_Tables_number   1
_cell_volume   221.169
_cell_formula_units_Z   1
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  0.837  0.213  0.763  1.0
  Na  Na1  1  0.163  0.787  0.237  1.0
  Cu  Cu2  1  0.500  0.500  0.500  1.0
  Se  Se3  1  0.861  0.149  0.263  1.0
  Se  Se4  1  0.139  0.851  0.737  1.0
  O  O5  1  0.835  0.753  0.529  1.0
  O  O6  1  0.165  0.247  0.471  1.0
  O  O7  1  0.922  0.352  0.144  1.0
  O  O8  1  0.078  0.648  0.856  1.0
  O  O9  1  0.790  0.889  0.114  1.0
  O  O10  1  0.210  0.111  0.886  1.0
  O  O11  1  0.626  0.143  0.369  1.0
  O  O12  1  0.374  0.857  0.631  1.0
  O  O13  1  0.626  0.485  0.743  1.0
  O  O14  1  0.374  0.515  0.257  1.0
[/CIF]
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The material structure described by Na2Cu(SeO5)2 crystallizes in the triclinic P-1 space group. Na(1) is bonded in a 6-coordinate geometry to 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(1) and two equivalent O(5) atoms. Se(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 120 degrees geometry to one Cu(1) and one Se(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Na(1) and one Se(1) atom. In the third O site, O(3) is bonded in a water-like geometry to one Na(1) and one Se(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to two equivalent Na(1) and one Se(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(SeO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.604
_cell_length_b   6.551
_cell_length_c   7.180
_cell_angle_alpha   102.307
_cell_angle_beta   103.643
_cell_angle_gamma   113.200
_symmetry_Int_Tables_number   1
_cell_volume   221.169
_cell_formula_units_Z   1
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  0.837  0.213  0.763  1.0
  Na  Na1  1  0.163  0.787  0.237  1.0
  Cu  Cu2  1  0.500  0.500  0.500  1.0
  Se  Se3  1  0.861  0.149  0.263  1.0
  Se  Se4  1  0.139  0.851  0.737  1.0
  O  O5  1  0.835  0.753  0.529  1.0
  O  O6  1  0.165  0.247  0.471  1.0
  O  O7  1  0.922  0.352  0.144  1.0
  O  O8  1  0.078  0.648  0.856  1.0
  O  O9  1  0.790  0.889  0.114  1.0
  O  O10  1  0.210  0.111  0.886  1.0
  O  O11  1  0.626  0.143  0.369  1.0
  O  O12  1  0.374  0.857  0.631  1.0
  O  O13  1  0.626  0.485  0.743  1.0
  O  O14  1  0.374  0.515  0.257  1.0
[/CIF]
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