The material structure described by NaEr(ReO5)4 crystallizes in the tetragonal P-4n2 space group. Na(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. Er(1) is bonded in a 8-coordinate geometry to four equivalent O(3) and four equivalent O(5) atoms. Re(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(4) is bonded in a single-bond geometry to one Re(1) atom. In the second O site, O(1) is bonded in a distorted single-bond geometry to one Na(1) and one Re(1) atom. In the third O site, O(5) is bonded in a single-bond geometry to one Er(1) atom. In the fourth O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Na(1) and one Re(1) atom. In the fifth O site, O(3) is bonded in a bent 150 degrees geometry to one Er(1) and one Re(1) atom. is represented by the CIF file [CIF]
data_NaEr(ReO5)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.880
_cell_length_b   12.314
_cell_length_c   12.314
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   891.638
_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  0.000  0.000  0.000  1.0
  Na  Na1  1  0.500  0.500  0.500  1.0
  Er  Er2  1  0.250  0.000  0.500  1.0
  Er  Er3  1  0.750  0.500  0.000  1.0
  Re  Re4  1  0.023  0.410  0.282  1.0
  Re  Re5  1  0.023  0.590  0.718  1.0
  Re  Re6  1  0.977  0.282  0.590  1.0
  Re  Re7  1  0.523  0.910  0.218  1.0
  Re  Re8  1  0.977  0.718  0.410  1.0
  Re  Re9  1  0.523  0.090  0.782  1.0
  Re  Re10  1  0.477  0.782  0.910  1.0
  Re  Re11  1  0.477  0.218  0.090  1.0
  O  O12  1  0.203  0.185  0.047  1.0
  O  O13  1  0.203  0.815  0.953  1.0
  O  O14  1  0.797  0.047  0.815  1.0
  O  O15  1  0.703  0.685  0.453  1.0
  O  O16  1  0.797  0.953  0.185  1.0
  O  O17  1  0.703  0.315  0.547  1.0
  O  O18  1  0.297  0.547  0.685  1.0
  O  O19  1  0.297  0.453  0.315  1.0
  O  O20  1  0.176  0.364  0.524  1.0
  O  O21  1  0.176  0.636  0.476  1.0
  O  O22  1  0.824  0.524  0.636  1.0
  O  O23  1  0.676  0.864  0.976  1.0
  O  O24  1  0.824  0.476  0.364  1.0
  O  O25  1  0.676  0.136  0.024  1.0
  O  O26  1  0.324  0.024  0.864  1.0
  O  O27  1  0.324  0.976  0.136  1.0
  O  O28  1  0.033  0.141  0.560  1.0
  O  O29  1  0.033  0.859  0.440  1.0
  O  O30  1  0.967  0.560  0.859  1.0
  O  O31  1  0.533  0.641  0.940  1.0
  O  O32  1  0.967  0.440  0.141  1.0
  O  O33  1  0.533  0.359  0.060  1.0
  O  O34  1  0.467  0.060  0.641  1.0
  O  O35  1  0.467  0.940  0.359  1.0
  O  O36  1  0.500  0.195  0.229  1.0
  O  O37  1  0.500  0.805  0.771  1.0
  O  O38  1  0.500  0.229  0.805  1.0
  O  O39  1  0.000  0.695  0.271  1.0
  O  O40  1  0.500  0.771  0.195  1.0
  O  O41  1  0.000  0.305  0.729  1.0
  O  O42  1  1.000  0.729  0.695  1.0
  O  O43  1  1.000  0.271  0.305  1.0
  O  O44  1  0.021  0.067  0.354  1.0
  O  O45  1  0.021  0.933  0.646  1.0
  O  O46  1  0.979  0.354  0.933  1.0
  O  O47  1  0.521  0.567  0.146  1.0
  O  O48  1  0.979  0.646  0.067  1.0
  O  O49  1  0.521  0.433  0.854  1.0
  O  O50  1  0.479  0.854  0.567  1.0
  O  O51  1  0.479  0.146  0.433  1.0
[/CIF]
.
The material structure described by NaEr(ReO5)4 crystallizes in the tetragonal P-4n2 space group. Na(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. Er(1) is bonded in a 8-coordinate geometry to four equivalent O(3) and four equivalent O(5) atoms. Re(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(4) is bonded in a single-bond geometry to one Re(1) atom. In the second O site, O(1) is bonded in a distorted single-bond geometry to one Na(1) and one Re(1) atom. In the third O site, O(5) is bonded in a single-bond geometry to one Er(1) atom. In the fourth O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Na(1) and one Re(1) atom. In the fifth O site, O(3) is bonded in a bent 150 degrees geometry to one Er(1) and one Re(1) atom. is represented by the CIF file [CIF]
data_NaEr(ReO5)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.880
_cell_length_b   12.314
_cell_length_c   12.314
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   891.638
_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  0.000  0.000  0.000  1.0
  Na  Na1  1  0.500  0.500  0.500  1.0
  Er  Er2  1  0.250  0.000  0.500  1.0
  Er  Er3  1  0.750  0.500  0.000  1.0
  Re  Re4  1  0.023  0.410  0.282  1.0
  Re  Re5  1  0.023  0.590  0.718  1.0
  Re  Re6  1  0.977  0.282  0.590  1.0
  Re  Re7  1  0.523  0.910  0.218  1.0
  Re  Re8  1  0.977  0.718  0.410  1.0
  Re  Re9  1  0.523  0.090  0.782  1.0
  Re  Re10  1  0.477  0.782  0.910  1.0
  Re  Re11  1  0.477  0.218  0.090  1.0
  O  O12  1  0.203  0.185  0.047  1.0
  O  O13  1  0.203  0.815  0.953  1.0
  O  O14  1  0.797  0.047  0.815  1.0
  O  O15  1  0.703  0.685  0.453  1.0
  O  O16  1  0.797  0.953  0.185  1.0
  O  O17  1  0.703  0.315  0.547  1.0
  O  O18  1  0.297  0.547  0.685  1.0
  O  O19  1  0.297  0.453  0.315  1.0
  O  O20  1  0.176  0.364  0.524  1.0
  O  O21  1  0.176  0.636  0.476  1.0
  O  O22  1  0.824  0.524  0.636  1.0
  O  O23  1  0.676  0.864  0.976  1.0
  O  O24  1  0.824  0.476  0.364  1.0
  O  O25  1  0.676  0.136  0.024  1.0
  O  O26  1  0.324  0.024  0.864  1.0
  O  O27  1  0.324  0.976  0.136  1.0
  O  O28  1  0.033  0.141  0.560  1.0
  O  O29  1  0.033  0.859  0.440  1.0
  O  O30  1  0.967  0.560  0.859  1.0
  O  O31  1  0.533  0.641  0.940  1.0
  O  O32  1  0.967  0.440  0.141  1.0
  O  O33  1  0.533  0.359  0.060  1.0
  O  O34  1  0.467  0.060  0.641  1.0
  O  O35  1  0.467  0.940  0.359  1.0
  O  O36  1  0.500  0.195  0.229  1.0
  O  O37  1  0.500  0.805  0.771  1.0
  O  O38  1  0.500  0.229  0.805  1.0
  O  O39  1  0.000  0.695  0.271  1.0
  O  O40  1  0.500  0.771  0.195  1.0
  O  O41  1  0.000  0.305  0.729  1.0
  O  O42  1  1.000  0.729  0.695  1.0
  O  O43  1  1.000  0.271  0.305  1.0
  O  O44  1  0.021  0.067  0.354  1.0
  O  O45  1  0.021  0.933  0.646  1.0
  O  O46  1  0.979  0.354  0.933  1.0
  O  O47  1  0.521  0.567  0.146  1.0
  O  O48  1  0.979  0.646  0.067  1.0
  O  O49  1  0.521  0.433  0.854  1.0
  O  O50  1  0.479  0.854  0.567  1.0
  O  O51  1  0.479  0.146  0.433  1.0
[/CIF]
.