The structure described by Na5Cu(HO2)2 crystallizes in the orthorhombic Pnma space group. There are four inequivalent Na sites. In the first Na site, Na(1) is bonded in a distorted rectangular see-saw-like geometry to one O(2), one O(3), and two equivalent O(1) atoms. In the second Na site, Na(2) is bonded in a distorted bent 150 degrees geometry to two equivalent O(3) atoms. In the third Na site, Na(3) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form distorted face-sharing NaO6 octahedra. In the fourth Na site, Na(4) is bonded in a rectangular see-saw-like geometry to one O(2), one O(3), and two equivalent O(1) atoms. Cu(1) is bonded in a linear geometry to one O(2) and one O(3) atom. H(1) is bonded in a single-bond geometry to one O(1) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Na(1), two equivalent Na(3), two equivalent Na(4), and one H(1) atom. In the second O site, O(2) is bonded in a 6-coordinate geometry to one Na(1), two equivalent Na(3), two equivalent Na(4), and one Cu(1) atom. In the third O site, O(3) is bonded to one Na(1), two equivalent Na(2), two equivalent Na(4), and one Cu(1) atom to form corner-sharing ONa5Cu octahedra. The corner-sharing octahedral tilt angles are 37°. is represented by the CIF card [CIF]
data_Na5Cu(HO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.109
_cell_length_b   8.895
_cell_length_c   12.058
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   655.240
_cell_formula_units_Z   4
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  0.552  0.250  0.042  1.0
  Na  Na1  1  0.563  0.750  0.208  1.0
  Na  Na2  1  0.586  0.750  0.729  1.0
  Na  Na3  1  0.741  0.006  0.361  1.0
  Na  Na4  1  0.741  0.494  0.361  1.0
  Na  Na5  1  0.759  0.506  0.861  1.0
  Na  Na6  1  0.759  0.994  0.861  1.0
  Na  Na7  1  0.914  0.250  0.229  1.0
  Na  Na8  1  0.937  0.250  0.708  1.0
  Na  Na9  1  0.948  0.750  0.542  1.0
  Na  Na10  1  0.052  0.250  0.458  1.0
  Na  Na11  1  0.063  0.750  0.292  1.0
  Na  Na12  1  0.086  0.750  0.771  1.0
  Na  Na13  1  0.241  0.006  0.139  1.0
  Na  Na14  1  0.241  0.494  0.139  1.0
  Na  Na15  1  0.259  0.506  0.639  1.0
  Na  Na16  1  0.259  0.994  0.639  1.0
  Na  Na17  1  0.414  0.250  0.271  1.0
  Na  Na18  1  0.437  0.250  0.792  1.0
  Na  Na19  1  0.448  0.750  0.958  1.0
  Cu  Cu20  1  0.503  0.250  0.524  1.0
  Cu  Cu21  1  0.997  0.750  0.024  1.0
  Cu  Cu22  1  0.003  0.250  0.976  1.0
  Cu  Cu23  1  0.497  0.750  0.476  1.0
  H  H24  1  0.727  0.006  0.123  1.0
  H  H25  1  0.727  0.494  0.123  1.0
  H  H26  1  0.773  0.506  0.624  1.0
  H  H27  1  0.773  0.994  0.624  1.0
  H  H28  1  0.227  0.006  0.377  1.0
  H  H29  1  0.227  0.494  0.377  1.0
  H  H30  1  0.273  0.506  0.876  1.0
  H  H31  1  0.273  0.994  0.876  1.0
  O  O32  1  0.621  0.049  0.176  1.0
  O  O33  1  0.621  0.451  0.176  1.0
  O  O34  1  0.694  0.250  0.411  1.0
  O  O35  1  0.729  0.750  0.379  1.0
  O  O36  1  0.771  0.250  0.879  1.0
  O  O37  1  0.806  0.750  0.911  1.0
  O  O38  1  0.879  0.549  0.676  1.0
  O  O39  1  0.879  0.951  0.676  1.0
  O  O40  1  0.121  0.451  0.324  1.0
  O  O41  1  0.121  0.049  0.324  1.0
  O  O42  1  0.194  0.250  0.089  1.0
  O  O43  1  0.229  0.750  0.121  1.0
  O  O44  1  0.271  0.250  0.621  1.0
  O  O45  1  0.306  0.750  0.589  1.0
  O  O46  1  0.379  0.549  0.824  1.0
  O  O47  1  0.379  0.951  0.824  1.0
[/CIF]
.
The structure described by Na5Cu(HO2)2 crystallizes in the orthorhombic Pnma space group. There are four inequivalent Na sites. In the first Na site, Na(1) is bonded in a distorted rectangular see-saw-like geometry to one O(2), one O(3), and two equivalent O(1) atoms. In the second Na site, Na(2) is bonded in a distorted bent 150 degrees geometry to two equivalent O(3) atoms. In the third Na site, Na(3) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form distorted face-sharing NaO6 octahedra. In the fourth Na site, Na(4) is bonded in a rectangular see-saw-like geometry to one O(2), one O(3), and two equivalent O(1) atoms. Cu(1) is bonded in a linear geometry to one O(2) and one O(3) atom. H(1) is bonded in a single-bond geometry to one O(1) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Na(1), two equivalent Na(3), two equivalent Na(4), and one H(1) atom. In the second O site, O(2) is bonded in a 6-coordinate geometry to one Na(1), two equivalent Na(3), two equivalent Na(4), and one Cu(1) atom. In the third O site, O(3) is bonded to one Na(1), two equivalent Na(2), two equivalent Na(4), and one Cu(1) atom to form corner-sharing ONa5Cu octahedra. The corner-sharing octahedral tilt angles are 37°. is represented by the CIF card [CIF]
data_Na5Cu(HO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.109
_cell_length_b   8.895
_cell_length_c   12.058
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   655.240
_cell_formula_units_Z   4
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  0.552  0.250  0.042  1.0
  Na  Na1  1  0.563  0.750  0.208  1.0
  Na  Na2  1  0.586  0.750  0.729  1.0
  Na  Na3  1  0.741  0.006  0.361  1.0
  Na  Na4  1  0.741  0.494  0.361  1.0
  Na  Na5  1  0.759  0.506  0.861  1.0
  Na  Na6  1  0.759  0.994  0.861  1.0
  Na  Na7  1  0.914  0.250  0.229  1.0
  Na  Na8  1  0.937  0.250  0.708  1.0
  Na  Na9  1  0.948  0.750  0.542  1.0
  Na  Na10  1  0.052  0.250  0.458  1.0
  Na  Na11  1  0.063  0.750  0.292  1.0
  Na  Na12  1  0.086  0.750  0.771  1.0
  Na  Na13  1  0.241  0.006  0.139  1.0
  Na  Na14  1  0.241  0.494  0.139  1.0
  Na  Na15  1  0.259  0.506  0.639  1.0
  Na  Na16  1  0.259  0.994  0.639  1.0
  Na  Na17  1  0.414  0.250  0.271  1.0
  Na  Na18  1  0.437  0.250  0.792  1.0
  Na  Na19  1  0.448  0.750  0.958  1.0
  Cu  Cu20  1  0.503  0.250  0.524  1.0
  Cu  Cu21  1  0.997  0.750  0.024  1.0
  Cu  Cu22  1  0.003  0.250  0.976  1.0
  Cu  Cu23  1  0.497  0.750  0.476  1.0
  H  H24  1  0.727  0.006  0.123  1.0
  H  H25  1  0.727  0.494  0.123  1.0
  H  H26  1  0.773  0.506  0.624  1.0
  H  H27  1  0.773  0.994  0.624  1.0
  H  H28  1  0.227  0.006  0.377  1.0
  H  H29  1  0.227  0.494  0.377  1.0
  H  H30  1  0.273  0.506  0.876  1.0
  H  H31  1  0.273  0.994  0.876  1.0
  O  O32  1  0.621  0.049  0.176  1.0
  O  O33  1  0.621  0.451  0.176  1.0
  O  O34  1  0.694  0.250  0.411  1.0
  O  O35  1  0.729  0.750  0.379  1.0
  O  O36  1  0.771  0.250  0.879  1.0
  O  O37  1  0.806  0.750  0.911  1.0
  O  O38  1  0.879  0.549  0.676  1.0
  O  O39  1  0.879  0.951  0.676  1.0
  O  O40  1  0.121  0.451  0.324  1.0
  O  O41  1  0.121  0.049  0.324  1.0
  O  O42  1  0.194  0.250  0.089  1.0
  O  O43  1  0.229  0.750  0.121  1.0
  O  O44  1  0.271  0.250  0.621  1.0
  O  O45  1  0.306  0.750  0.589  1.0
  O  O46  1  0.379  0.549  0.824  1.0
  O  O47  1  0.379  0.951  0.824  1.0
[/CIF]
.