The crystal structure described by Na5Pr4Si4O16F crystallizes in the tetragonal I-4 space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 7-coordinate geometry to one O(2), one O(3), one O(4), and four equivalent O(1) atoms. In the second Na site, Na(2) is bonded in a 10-coordinate geometry to four equivalent O(2), four equivalent O(3), and two equivalent F(1) atoms. Pr(1) is bonded in a 8-coordinate geometry to one O(1), two equivalent O(2), two equivalent O(3), two equivalent O(4), and one F(1) atom. Si(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(3) is bonded in a 1-coordinate geometry to one Na(1), one Na(2), two equivalent Pr(1), and one Si(1) atom. In the second O site, O(4) is bonded in a 1-coordinate geometry to one Na(1), two equivalent Pr(1), and one Si(1) atom. In the third O site, O(1) is bonded in a 6-coordinate geometry to four equivalent Na(1), one Pr(1), and one Si(1) atom. In the fourth O site, O(2) is bonded in a 1-coordinate geometry to one Na(1), one Na(2), two equivalent Pr(1), and one Si(1) atom. F(1) is bonded to two equivalent Na(2) and four equivalent Pr(1) atoms to form corner-sharing FNa2Pr4 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF card [CIF]
data_Na5Pr4Si4O16F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.009
_cell_length_b   9.009
_cell_length_c   9.009
_cell_angle_alpha   95.392
_cell_angle_beta   95.392
_cell_angle_gamma   144.298
_symmetry_Int_Tables_number   1
_cell_volume   406.105
_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  0.581  0.097  0.694  1.0
  Na  Na1  1  0.403  0.887  0.306  1.0
  Na  Na2  1  0.113  0.419  0.516  1.0
  Na  Na3  1  0.903  0.597  0.484  1.0
  Na  Na4  1  0.000  0.000  0.000  1.0
  Pr  Pr5  1  0.602  0.669  0.303  1.0
  Pr  Pr6  1  0.366  0.299  0.697  1.0
  Pr  Pr7  1  0.701  0.398  0.067  1.0
  Pr  Pr8  1  0.331  0.634  0.933  1.0
  Si  Si9  1  0.760  0.906  0.651  1.0
  Si  Si10  1  0.255  0.109  0.349  1.0
  Si  Si11  1  0.891  0.240  0.146  1.0
  Si  Si12  1  0.094  0.745  0.854  1.0
  O  O13  1  0.601  0.879  0.511  1.0
  O  O14  1  0.368  0.090  0.489  1.0
  O  O15  1  0.910  0.399  0.278  1.0
  O  O16  1  0.121  0.632  0.722  1.0
  O  O17  1  0.578  0.723  0.764  1.0
  O  O18  1  0.959  0.814  0.236  1.0
  O  O19  1  0.186  0.422  0.145  1.0
  O  O20  1  0.277  0.041  0.855  1.0
  O  O21  1  0.045  0.218  0.754  1.0
  O  O22  1  0.464  0.292  0.246  1.0
  O  O23  1  0.708  0.955  0.172  1.0
  O  O24  1  0.782  0.536  0.828  1.0
  O  O25  1  0.840  0.812  0.569  1.0
  O  O26  1  0.243  0.271  0.431  1.0
  O  O27  1  0.729  0.160  0.972  1.0
  O  O28  1  0.188  0.757  0.028  1.0
  F  F29  1  0.500  0.500  0.000  1.0
[/CIF]
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The crystal structure described by Na5Pr4Si4O16F crystallizes in the tetragonal I-4 space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 7-coordinate geometry to one O(2), one O(3), one O(4), and four equivalent O(1) atoms. In the second Na site, Na(2) is bonded in a 10-coordinate geometry to four equivalent O(2), four equivalent O(3), and two equivalent F(1) atoms. Pr(1) is bonded in a 8-coordinate geometry to one O(1), two equivalent O(2), two equivalent O(3), two equivalent O(4), and one F(1) atom. Si(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(3) is bonded in a 1-coordinate geometry to one Na(1), one Na(2), two equivalent Pr(1), and one Si(1) atom. In the second O site, O(4) is bonded in a 1-coordinate geometry to one Na(1), two equivalent Pr(1), and one Si(1) atom. In the third O site, O(1) is bonded in a 6-coordinate geometry to four equivalent Na(1), one Pr(1), and one Si(1) atom. In the fourth O site, O(2) is bonded in a 1-coordinate geometry to one Na(1), one Na(2), two equivalent Pr(1), and one Si(1) atom. F(1) is bonded to two equivalent Na(2) and four equivalent Pr(1) atoms to form corner-sharing FNa2Pr4 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF card [CIF]
data_Na5Pr4Si4O16F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.009
_cell_length_b   9.009
_cell_length_c   9.009
_cell_angle_alpha   95.392
_cell_angle_beta   95.392
_cell_angle_gamma   144.298
_symmetry_Int_Tables_number   1
_cell_volume   406.105
_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  0.581  0.097  0.694  1.0
  Na  Na1  1  0.403  0.887  0.306  1.0
  Na  Na2  1  0.113  0.419  0.516  1.0
  Na  Na3  1  0.903  0.597  0.484  1.0
  Na  Na4  1  0.000  0.000  0.000  1.0
  Pr  Pr5  1  0.602  0.669  0.303  1.0
  Pr  Pr6  1  0.366  0.299  0.697  1.0
  Pr  Pr7  1  0.701  0.398  0.067  1.0
  Pr  Pr8  1  0.331  0.634  0.933  1.0
  Si  Si9  1  0.760  0.906  0.651  1.0
  Si  Si10  1  0.255  0.109  0.349  1.0
  Si  Si11  1  0.891  0.240  0.146  1.0
  Si  Si12  1  0.094  0.745  0.854  1.0
  O  O13  1  0.601  0.879  0.511  1.0
  O  O14  1  0.368  0.090  0.489  1.0
  O  O15  1  0.910  0.399  0.278  1.0
  O  O16  1  0.121  0.632  0.722  1.0
  O  O17  1  0.578  0.723  0.764  1.0
  O  O18  1  0.959  0.814  0.236  1.0
  O  O19  1  0.186  0.422  0.145  1.0
  O  O20  1  0.277  0.041  0.855  1.0
  O  O21  1  0.045  0.218  0.754  1.0
  O  O22  1  0.464  0.292  0.246  1.0
  O  O23  1  0.708  0.955  0.172  1.0
  O  O24  1  0.782  0.536  0.828  1.0
  O  O25  1  0.840  0.812  0.569  1.0
  O  O26  1  0.243  0.271  0.431  1.0
  O  O27  1  0.729  0.160  0.972  1.0
  O  O28  1  0.188  0.757  0.028  1.0
  F  F29  1  0.500  0.500  0.000  1.0
[/CIF]
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