The material structure described by NaPr2S2O8F3 crystallizes in the monoclinic C2/c space group. Na(1) is bonded in a 7-coordinate geometry to two equivalent O(2), two equivalent O(4), one F(2), and two equivalent F(1) atoms. Pr(1) is bonded in a 10-coordinate geometry to one O(2), one O(4), two equivalent O(1), two equivalent O(3), one F(2), and three equivalent F(1) 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 four inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to two equivalent Pr(1) and one S(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Na(1), one Pr(1), and one S(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to two equivalent Pr(1) and one S(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Na(1), one Pr(1), and one S(1) atom. There are two inequivalent F sites. In the first F site, F(1) is bonded to one Na(1) and three equivalent Pr(1) atoms to form a mixture of distorted face, corner, and edge-sharing FNaPr3 tetrahedra. In the second F site, F(2) is bonded in a trigonal planar geometry to one Na(1) and two equivalent Pr(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaPr2S2O8F3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.654
_cell_length_b   8.654
_cell_length_c   8.304
_cell_angle_alpha   66.569
_cell_angle_beta   66.569
_cell_angle_gamma   47.674
_symmetry_Int_Tables_number   1
_cell_volume   414.043
_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  0.618  0.382  0.250  1.0
  Na  Na1  1  0.382  0.618  0.750  1.0
  Pr  Pr2  1  0.789  0.971  0.962  1.0
  Pr  Pr3  1  0.029  0.211  0.538  1.0
  Pr  Pr4  1  0.971  0.789  0.462  1.0
  Pr  Pr5  1  0.211  0.029  0.038  1.0
  S  S6  1  0.408  0.234  0.661  1.0
  S  S7  1  0.592  0.766  0.339  1.0
  S  S8  1  0.766  0.592  0.839  1.0
  S  S9  1  0.234  0.408  0.161  1.0
  O  O10  1  0.846  0.544  0.656  1.0
  O  O11  1  0.394  0.870  0.474  1.0
  O  O12  1  0.870  0.394  0.974  1.0
  O  O13  1  0.823  0.727  0.821  1.0
  O  O14  1  0.707  0.533  0.389  1.0
  O  O15  1  0.154  0.456  0.344  1.0
  O  O16  1  0.456  0.154  0.844  1.0
  O  O17  1  0.293  0.467  0.611  1.0
  O  O18  1  0.130  0.606  0.026  1.0
  O  O19  1  0.727  0.823  0.321  1.0
  O  O20  1  0.467  0.293  0.111  1.0
  O  O21  1  0.273  0.177  0.679  1.0
  O  O22  1  0.533  0.707  0.889  1.0
  O  O23  1  0.606  0.130  0.526  1.0
  O  O24  1  0.544  0.846  0.156  1.0
  O  O25  1  0.177  0.273  0.179  1.0
  F  F26  1  0.897  0.012  0.160  1.0
  F  F27  1  0.012  0.897  0.660  1.0
  F  F28  1  0.103  0.988  0.840  1.0
  F  F29  1  0.988  0.103  0.340  1.0
  F  F30  1  0.284  0.716  0.250  1.0
  F  F31  1  0.716  0.284  0.750  1.0
[/CIF]
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The material structure described by NaPr2S2O8F3 crystallizes in the monoclinic C2/c space group. Na(1) is bonded in a 7-coordinate geometry to two equivalent O(2), two equivalent O(4), one F(2), and two equivalent F(1) atoms. Pr(1) is bonded in a 10-coordinate geometry to one O(2), one O(4), two equivalent O(1), two equivalent O(3), one F(2), and three equivalent F(1) 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 four inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to two equivalent Pr(1) and one S(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Na(1), one Pr(1), and one S(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to two equivalent Pr(1) and one S(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Na(1), one Pr(1), and one S(1) atom. There are two inequivalent F sites. In the first F site, F(1) is bonded to one Na(1) and three equivalent Pr(1) atoms to form a mixture of distorted face, corner, and edge-sharing FNaPr3 tetrahedra. In the second F site, F(2) is bonded in a trigonal planar geometry to one Na(1) and two equivalent Pr(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaPr2S2O8F3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.654
_cell_length_b   8.654
_cell_length_c   8.304
_cell_angle_alpha   66.569
_cell_angle_beta   66.569
_cell_angle_gamma   47.674
_symmetry_Int_Tables_number   1
_cell_volume   414.043
_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  0.618  0.382  0.250  1.0
  Na  Na1  1  0.382  0.618  0.750  1.0
  Pr  Pr2  1  0.789  0.971  0.962  1.0
  Pr  Pr3  1  0.029  0.211  0.538  1.0
  Pr  Pr4  1  0.971  0.789  0.462  1.0
  Pr  Pr5  1  0.211  0.029  0.038  1.0
  S  S6  1  0.408  0.234  0.661  1.0
  S  S7  1  0.592  0.766  0.339  1.0
  S  S8  1  0.766  0.592  0.839  1.0
  S  S9  1  0.234  0.408  0.161  1.0
  O  O10  1  0.846  0.544  0.656  1.0
  O  O11  1  0.394  0.870  0.474  1.0
  O  O12  1  0.870  0.394  0.974  1.0
  O  O13  1  0.823  0.727  0.821  1.0
  O  O14  1  0.707  0.533  0.389  1.0
  O  O15  1  0.154  0.456  0.344  1.0
  O  O16  1  0.456  0.154  0.844  1.0
  O  O17  1  0.293  0.467  0.611  1.0
  O  O18  1  0.130  0.606  0.026  1.0
  O  O19  1  0.727  0.823  0.321  1.0
  O  O20  1  0.467  0.293  0.111  1.0
  O  O21  1  0.273  0.177  0.679  1.0
  O  O22  1  0.533  0.707  0.889  1.0
  O  O23  1  0.606  0.130  0.526  1.0
  O  O24  1  0.544  0.846  0.156  1.0
  O  O25  1  0.177  0.273  0.179  1.0
  F  F26  1  0.897  0.012  0.160  1.0
  F  F27  1  0.012  0.897  0.660  1.0
  F  F28  1  0.103  0.988  0.840  1.0
  F  F29  1  0.988  0.103  0.340  1.0
  F  F30  1  0.284  0.716  0.250  1.0
  F  F31  1  0.716  0.284  0.750  1.0
[/CIF]
.