The material described by NaPr(SeO4)2 crystallizes in the triclinic P-1 space group. Na(1) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(6), one O(7), and one O(8) atom. Pr(1) is bonded in a 9-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(6), one O(7), one O(8), and two equivalent O(5) atoms. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a tetrahedral geometry to one O(2), one O(3), one O(5), and one O(6) atom. In the second Se site, Se(2) is bonded in a tetrahedral geometry to one O(1), one O(4), one O(7), and one O(8) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Na(1), one Pr(1), and one Se(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Na(1), one Pr(1), and one Se(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Na(1), one Pr(1), and one Se(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Na(1), one Pr(1), and one Se(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Pr(1) and one Se(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Na(1), one Pr(1), and one Se(1) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Na(1), one Pr(1), and one Se(2) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Na(1), one Pr(1), and one Se(2) atom. is represented by the CIF file [CIF]
data_NaPr(SeO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.714
_cell_length_b   7.243
_cell_length_c   7.478
_cell_angle_alpha   99.177
_cell_angle_beta   96.947
_cell_angle_gamma   89.781
_symmetry_Int_Tables_number   1
_cell_volume   356.297
_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  0.068  0.690  0.276  1.0
  Na  Na1  1  0.932  0.310  0.724  1.0
  Pr  Pr2  1  0.644  0.806  0.802  1.0
  Pr  Pr3  1  0.356  0.194  0.198  1.0
  Se  Se4  1  0.133  0.814  0.785  1.0
  Se  Se5  1  0.432  0.285  0.711  1.0
  Se  Se6  1  0.568  0.715  0.289  1.0
  Se  Se7  1  0.867  0.186  0.215  1.0
  O  O8  1  0.432  0.907  0.317  1.0
  O  O9  1  0.745  0.260  0.393  1.0
  O  O10  1  0.966  0.983  0.762  1.0
  O  O11  1  0.405  0.534  0.241  1.0
  O  O12  1  0.677  0.112  0.049  1.0
  O  O13  1  0.034  0.017  0.238  1.0
  O  O14  1  0.008  0.351  0.156  1.0
  O  O15  1  0.595  0.466  0.759  1.0
  O  O16  1  0.323  0.888  0.951  1.0
  O  O17  1  0.992  0.649  0.844  1.0
  O  O18  1  0.568  0.093  0.683  1.0
  O  O19  1  0.288  0.288  0.880  1.0
  O  O20  1  0.279  0.295  0.519  1.0
  O  O21  1  0.255  0.740  0.607  1.0
  O  O22  1  0.712  0.712  0.120  1.0
  O  O23  1  0.721  0.705  0.481  1.0
[/CIF]
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The material described by NaPr(SeO4)2 crystallizes in the triclinic P-1 space group. Na(1) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(6), one O(7), and one O(8) atom. Pr(1) is bonded in a 9-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(6), one O(7), one O(8), and two equivalent O(5) atoms. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a tetrahedral geometry to one O(2), one O(3), one O(5), and one O(6) atom. In the second Se site, Se(2) is bonded in a tetrahedral geometry to one O(1), one O(4), one O(7), and one O(8) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Na(1), one Pr(1), and one Se(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Na(1), one Pr(1), and one Se(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Na(1), one Pr(1), and one Se(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Na(1), one Pr(1), and one Se(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Pr(1) and one Se(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Na(1), one Pr(1), and one Se(1) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Na(1), one Pr(1), and one Se(2) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Na(1), one Pr(1), and one Se(2) atom. is represented by the CIF file [CIF]
data_NaPr(SeO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.714
_cell_length_b   7.243
_cell_length_c   7.478
_cell_angle_alpha   99.177
_cell_angle_beta   96.947
_cell_angle_gamma   89.781
_symmetry_Int_Tables_number   1
_cell_volume   356.297
_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  0.068  0.690  0.276  1.0
  Na  Na1  1  0.932  0.310  0.724  1.0
  Pr  Pr2  1  0.644  0.806  0.802  1.0
  Pr  Pr3  1  0.356  0.194  0.198  1.0
  Se  Se4  1  0.133  0.814  0.785  1.0
  Se  Se5  1  0.432  0.285  0.711  1.0
  Se  Se6  1  0.568  0.715  0.289  1.0
  Se  Se7  1  0.867  0.186  0.215  1.0
  O  O8  1  0.432  0.907  0.317  1.0
  O  O9  1  0.745  0.260  0.393  1.0
  O  O10  1  0.966  0.983  0.762  1.0
  O  O11  1  0.405  0.534  0.241  1.0
  O  O12  1  0.677  0.112  0.049  1.0
  O  O13  1  0.034  0.017  0.238  1.0
  O  O14  1  0.008  0.351  0.156  1.0
  O  O15  1  0.595  0.466  0.759  1.0
  O  O16  1  0.323  0.888  0.951  1.0
  O  O17  1  0.992  0.649  0.844  1.0
  O  O18  1  0.568  0.093  0.683  1.0
  O  O19  1  0.288  0.288  0.880  1.0
  O  O20  1  0.279  0.295  0.519  1.0
  O  O21  1  0.255  0.740  0.607  1.0
  O  O22  1  0.712  0.712  0.120  1.0
  O  O23  1  0.721  0.705  0.481  1.0
[/CIF]
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