The material structure described by K5Pr4Si4O16F crystallizes in the tetragonal I-4 space group. There are two inequivalent K sites. In the first K site, K(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 K site, K(2) is bonded in a distorted q6 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 K(1), one K(2), two equivalent Pr(1), and one Si(1) atom. In the second O site, O(4) is bonded in a 4-coordinate geometry to one K(1), two equivalent Pr(1), and one Si(1) atom. In the third O site, O(1) is bonded in a distorted single-bond geometry to four equivalent K(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 K(1), one K(2), two equivalent Pr(1), and one Si(1) atom. F(1) is bonded to two equivalent K(2) and four equivalent Pr(1) atoms to form corner-sharing FK2Pr4 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF file [CIF]
data_K5Pr4Si4O16F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.188
_cell_length_b   9.188
_cell_length_c   9.188
_cell_angle_alpha   95.183
_cell_angle_beta   95.183
_cell_angle_gamma   145.016
_symmetry_Int_Tables_number   1
_cell_volume   424.185
_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
  K  K0  1  0.593  0.103  0.695  1.0
  K  K1  1  0.408  0.898  0.305  1.0
  K  K2  1  0.102  0.407  0.510  1.0
  K  K3  1  0.897  0.592  0.490  1.0
  K  K4  1  0.000  0.000  0.000  1.0
  Pr  Pr5  1  0.600  0.667  0.302  1.0
  Pr  Pr6  1  0.365  0.298  0.698  1.0
  Pr  Pr7  1  0.702  0.400  0.067  1.0
  Pr  Pr8  1  0.333  0.635  0.933  1.0
  Si  Si9  1  0.764  0.905  0.650  1.0
  Si  Si10  1  0.255  0.114  0.350  1.0
  Si  Si11  1  0.886  0.236  0.141  1.0
  Si  Si12  1  0.095  0.745  0.859  1.0
  O  O13  1  0.619  0.880  0.507  1.0
  O  O14  1  0.373  0.112  0.493  1.0
  O  O15  1  0.888  0.381  0.260  1.0
  O  O16  1  0.120  0.627  0.740  1.0
  O  O17  1  0.564  0.710  0.752  1.0
  O  O18  1  0.958  0.812  0.248  1.0
  O  O19  1  0.188  0.436  0.146  1.0
  O  O20  1  0.290  0.042  0.854  1.0
  O  O21  1  0.041  0.211  0.759  1.0
  O  O22  1  0.452  0.281  0.241  1.0
  O  O23  1  0.719  0.959  0.170  1.0
  O  O24  1  0.789  0.548  0.830  1.0
  O  O25  1  0.857  0.830  0.573  1.0
  O  O26  1  0.257  0.283  0.427  1.0
  O  O27  1  0.717  0.143  0.973  1.0
  O  O28  1  0.170  0.743  0.027  1.0
  F  F29  1  0.500  0.500  0.000  1.0
[/CIF]
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The material structure described by K5Pr4Si4O16F crystallizes in the tetragonal I-4 space group. There are two inequivalent K sites. In the first K site, K(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 K site, K(2) is bonded in a distorted q6 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 K(1), one K(2), two equivalent Pr(1), and one Si(1) atom. In the second O site, O(4) is bonded in a 4-coordinate geometry to one K(1), two equivalent Pr(1), and one Si(1) atom. In the third O site, O(1) is bonded in a distorted single-bond geometry to four equivalent K(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 K(1), one K(2), two equivalent Pr(1), and one Si(1) atom. F(1) is bonded to two equivalent K(2) and four equivalent Pr(1) atoms to form corner-sharing FK2Pr4 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF file [CIF]
data_K5Pr4Si4O16F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.188
_cell_length_b   9.188
_cell_length_c   9.188
_cell_angle_alpha   95.183
_cell_angle_beta   95.183
_cell_angle_gamma   145.016
_symmetry_Int_Tables_number   1
_cell_volume   424.185
_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
  K  K0  1  0.593  0.103  0.695  1.0
  K  K1  1  0.408  0.898  0.305  1.0
  K  K2  1  0.102  0.407  0.510  1.0
  K  K3  1  0.897  0.592  0.490  1.0
  K  K4  1  0.000  0.000  0.000  1.0
  Pr  Pr5  1  0.600  0.667  0.302  1.0
  Pr  Pr6  1  0.365  0.298  0.698  1.0
  Pr  Pr7  1  0.702  0.400  0.067  1.0
  Pr  Pr8  1  0.333  0.635  0.933  1.0
  Si  Si9  1  0.764  0.905  0.650  1.0
  Si  Si10  1  0.255  0.114  0.350  1.0
  Si  Si11  1  0.886  0.236  0.141  1.0
  Si  Si12  1  0.095  0.745  0.859  1.0
  O  O13  1  0.619  0.880  0.507  1.0
  O  O14  1  0.373  0.112  0.493  1.0
  O  O15  1  0.888  0.381  0.260  1.0
  O  O16  1  0.120  0.627  0.740  1.0
  O  O17  1  0.564  0.710  0.752  1.0
  O  O18  1  0.958  0.812  0.248  1.0
  O  O19  1  0.188  0.436  0.146  1.0
  O  O20  1  0.290  0.042  0.854  1.0
  O  O21  1  0.041  0.211  0.759  1.0
  O  O22  1  0.452  0.281  0.241  1.0
  O  O23  1  0.719  0.959  0.170  1.0
  O  O24  1  0.789  0.548  0.830  1.0
  O  O25  1  0.857  0.830  0.573  1.0
  O  O26  1  0.257  0.283  0.427  1.0
  O  O27  1  0.717  0.143  0.973  1.0
  O  O28  1  0.170  0.743  0.027  1.0
  F  F29  1  0.500  0.500  0.000  1.0
[/CIF]
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