The crystal structure described by NaPr9Si6(SO12)2 crystallizes in the trigonal P3 space group. Na(1) is bonded in a 6-coordinate geometry to three equivalent O(2) and three equivalent O(7) atoms. There are five inequivalent Pr sites. In the first Pr site, Pr(1) is bonded in a 8-coordinate geometry to one S(1), one S(2), one O(1), one O(3), one O(4), one O(5), one O(6), and one O(7) atom. In the second Pr site, Pr(2) is bonded in a 8-coordinate geometry to one S(1), one S(2), one O(2), one O(3), one O(4), one O(5), one O(6), and one O(8) atom. In the third Pr site, Pr(3) is bonded in a 9-coordinate geometry to three equivalent O(1), three equivalent O(6), and three equivalent O(8) atoms. In the fourth Pr site, Pr(4) is bonded in a 9-coordinate geometry to three equivalent O(1), three equivalent O(3), and three equivalent O(8) atoms. In the fifth Pr site, Pr(5) is bonded in a 9-coordinate geometry to three equivalent O(2), three equivalent O(4), and three equivalent O(7) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a tetrahedral geometry to one O(1), one O(3), one O(6), and one O(7) atom. In the second Si site, Si(2) is bonded in a tetrahedral geometry to one O(2), one O(4), one O(5), and one O(8) atom. There are two inequivalent S sites. In the first S site, S(1) is bonded to three equivalent Pr(1) and three equivalent Pr(2) atoms to form face-sharing SPr6 octahedra. In the second S site, S(2) is bonded to three equivalent Pr(1) and three equivalent Pr(2) atoms to form face-sharing SPr6 octahedra. There are eight inequivalent O sites. In the first O site, O(6) is bonded in a 4-coordinate geometry to one Pr(1), one Pr(2), one Pr(3), and one Si(1) atom. In the second O site, O(7) is bonded in a 1-coordinate geometry to one Na(1), one Pr(1), one Pr(5), and one Si(1) atom. In the third O site, O(8) is bonded in a 3-coordinate geometry to one Pr(2), one Pr(3), one Pr(4), and one Si(2) atom. In the fourth O site, O(1) is bonded in a 4-coordinate geometry to one Pr(1), one Pr(3), one Pr(4), and one Si(1) atom. In the fifth O site, O(2) is bonded in a 4-coordinate geometry to one Na(1), one Pr(2), one Pr(5), and one Si(2) atom. In the sixth O site, O(3) is bonded in a 4-coordinate geometry to one Pr(1), one Pr(2), one Pr(4), and one Si(1) atom. In the seventh O site, O(4) is bonded in a 4-coordinate geometry to one Pr(1), one Pr(2), one Pr(5), and one Si(2) atom. In the eighth O site, O(5) is bonded in a 3-coordinate geometry to one Pr(1), one Pr(2), and one Si(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaPr9Si6(SO12)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.962
_cell_length_b   9.962
_cell_length_c   6.966
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   598.677
_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  0.333  0.667  0.507  1.0
  Pr  Pr1  1  0.669  0.582  0.749  1.0
  Pr  Pr2  1  0.418  0.086  0.749  1.0
  Pr  Pr3  1  0.914  0.331  0.749  1.0
  Pr  Pr4  1  0.656  0.082  0.253  1.0
  Pr  Pr5  1  0.918  0.573  0.253  1.0
  Pr  Pr6  1  0.427  0.344  0.253  1.0
  Pr  Pr7  1  0.000  0.000  0.002  1.0
  Pr  Pr8  1  0.000  0.000  0.498  1.0
  Pr  Pr9  1  0.333  0.667  0.995  1.0
  Si  Si10  1  0.043  0.742  0.752  1.0
  Si  Si11  1  0.258  0.301  0.752  1.0
  Si  Si12  1  0.699  0.957  0.752  1.0
  Si  Si13  1  0.286  0.922  0.249  1.0
  Si  Si14  1  0.078  0.365  0.249  1.0
  Si  Si15  1  0.635  0.714  0.249  1.0
  S  S16  1  0.667  0.333  0.509  1.0
  S  S17  1  0.667  0.333  0.998  1.0
  O  O18  1  0.139  0.935  0.750  1.0
  O  O19  1  0.065  0.204  0.750  1.0
  O  O20  1  0.796  0.861  0.750  1.0
  O  O21  1  0.189  0.732  0.243  1.0
  O  O22  1  0.268  0.458  0.243  1.0
  O  O23  1  0.542  0.811  0.243  1.0
  O  O24  1  0.930  0.697  0.561  1.0
  O  O25  1  0.303  0.233  0.561  1.0
  O  O26  1  0.767  0.070  0.561  1.0
  O  O27  1  0.402  0.973  0.060  1.0
  O  O28  1  0.027  0.429  0.060  1.0
  O  O29  1  0.571  0.598  0.060  1.0
  O  O30  1  0.407  0.990  0.431  1.0
  O  O31  1  0.010  0.417  0.431  1.0
  O  O32  1  0.583  0.593  0.431  1.0
  O  O33  1  0.926  0.698  0.940  1.0
  O  O34  1  0.302  0.228  0.940  1.0
  O  O35  1  0.772  0.074  0.940  1.0
  O  O36  1  0.149  0.662  0.759  1.0
  O  O37  1  0.338  0.487  0.759  1.0
  O  O38  1  0.513  0.851  0.759  1.0
  O  O39  1  0.170  0.994  0.250  1.0
  O  O40  1  0.006  0.175  0.250  1.0
  O  O41  1  0.825  0.830  0.250  1.0
[/CIF]
.
The crystal structure described by NaPr9Si6(SO12)2 crystallizes in the trigonal P3 space group. Na(1) is bonded in a 6-coordinate geometry to three equivalent O(2) and three equivalent O(7) atoms. There are five inequivalent Pr sites. In the first Pr site, Pr(1) is bonded in a 8-coordinate geometry to one S(1), one S(2), one O(1), one O(3), one O(4), one O(5), one O(6), and one O(7) atom. In the second Pr site, Pr(2) is bonded in a 8-coordinate geometry to one S(1), one S(2), one O(2), one O(3), one O(4), one O(5), one O(6), and one O(8) atom. In the third Pr site, Pr(3) is bonded in a 9-coordinate geometry to three equivalent O(1), three equivalent O(6), and three equivalent O(8) atoms. In the fourth Pr site, Pr(4) is bonded in a 9-coordinate geometry to three equivalent O(1), three equivalent O(3), and three equivalent O(8) atoms. In the fifth Pr site, Pr(5) is bonded in a 9-coordinate geometry to three equivalent O(2), three equivalent O(4), and three equivalent O(7) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a tetrahedral geometry to one O(1), one O(3), one O(6), and one O(7) atom. In the second Si site, Si(2) is bonded in a tetrahedral geometry to one O(2), one O(4), one O(5), and one O(8) atom. There are two inequivalent S sites. In the first S site, S(1) is bonded to three equivalent Pr(1) and three equivalent Pr(2) atoms to form face-sharing SPr6 octahedra. In the second S site, S(2) is bonded to three equivalent Pr(1) and three equivalent Pr(2) atoms to form face-sharing SPr6 octahedra. There are eight inequivalent O sites. In the first O site, O(6) is bonded in a 4-coordinate geometry to one Pr(1), one Pr(2), one Pr(3), and one Si(1) atom. In the second O site, O(7) is bonded in a 1-coordinate geometry to one Na(1), one Pr(1), one Pr(5), and one Si(1) atom. In the third O site, O(8) is bonded in a 3-coordinate geometry to one Pr(2), one Pr(3), one Pr(4), and one Si(2) atom. In the fourth O site, O(1) is bonded in a 4-coordinate geometry to one Pr(1), one Pr(3), one Pr(4), and one Si(1) atom. In the fifth O site, O(2) is bonded in a 4-coordinate geometry to one Na(1), one Pr(2), one Pr(5), and one Si(2) atom. In the sixth O site, O(3) is bonded in a 4-coordinate geometry to one Pr(1), one Pr(2), one Pr(4), and one Si(1) atom. In the seventh O site, O(4) is bonded in a 4-coordinate geometry to one Pr(1), one Pr(2), one Pr(5), and one Si(2) atom. In the eighth O site, O(5) is bonded in a 3-coordinate geometry to one Pr(1), one Pr(2), and one Si(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaPr9Si6(SO12)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.962
_cell_length_b   9.962
_cell_length_c   6.966
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   598.677
_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  0.333  0.667  0.507  1.0
  Pr  Pr1  1  0.669  0.582  0.749  1.0
  Pr  Pr2  1  0.418  0.086  0.749  1.0
  Pr  Pr3  1  0.914  0.331  0.749  1.0
  Pr  Pr4  1  0.656  0.082  0.253  1.0
  Pr  Pr5  1  0.918  0.573  0.253  1.0
  Pr  Pr6  1  0.427  0.344  0.253  1.0
  Pr  Pr7  1  0.000  0.000  0.002  1.0
  Pr  Pr8  1  0.000  0.000  0.498  1.0
  Pr  Pr9  1  0.333  0.667  0.995  1.0
  Si  Si10  1  0.043  0.742  0.752  1.0
  Si  Si11  1  0.258  0.301  0.752  1.0
  Si  Si12  1  0.699  0.957  0.752  1.0
  Si  Si13  1  0.286  0.922  0.249  1.0
  Si  Si14  1  0.078  0.365  0.249  1.0
  Si  Si15  1  0.635  0.714  0.249  1.0
  S  S16  1  0.667  0.333  0.509  1.0
  S  S17  1  0.667  0.333  0.998  1.0
  O  O18  1  0.139  0.935  0.750  1.0
  O  O19  1  0.065  0.204  0.750  1.0
  O  O20  1  0.796  0.861  0.750  1.0
  O  O21  1  0.189  0.732  0.243  1.0
  O  O22  1  0.268  0.458  0.243  1.0
  O  O23  1  0.542  0.811  0.243  1.0
  O  O24  1  0.930  0.697  0.561  1.0
  O  O25  1  0.303  0.233  0.561  1.0
  O  O26  1  0.767  0.070  0.561  1.0
  O  O27  1  0.402  0.973  0.060  1.0
  O  O28  1  0.027  0.429  0.060  1.0
  O  O29  1  0.571  0.598  0.060  1.0
  O  O30  1  0.407  0.990  0.431  1.0
  O  O31  1  0.010  0.417  0.431  1.0
  O  O32  1  0.583  0.593  0.431  1.0
  O  O33  1  0.926  0.698  0.940  1.0
  O  O34  1  0.302  0.228  0.940  1.0
  O  O35  1  0.772  0.074  0.940  1.0
  O  O36  1  0.149  0.662  0.759  1.0
  O  O37  1  0.338  0.487  0.759  1.0
  O  O38  1  0.513  0.851  0.759  1.0
  O  O39  1  0.170  0.994  0.250  1.0
  O  O40  1  0.006  0.175  0.250  1.0
  O  O41  1  0.825  0.830  0.250  1.0
[/CIF]
.