The crystal structure described by NaTh2(PO4)3 crystallizes in the monoclinic C2/c space group. Na(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(6) atoms. Th(1) is bonded in a 9-coordinate geometry to one O(1), one O(4), one O(6), two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded in a tetrahedral geometry to one O(1), one O(3), one O(4), and one O(5) atom. In the second P site, P(2) is bonded in a tetrahedral geometry to two equivalent O(2) and two equivalent O(6) atoms. There are six inequivalent O sites. In the first O site, O(3) is bonded in a distorted single-bond geometry to two equivalent Th(1) and one P(1) atom. In the second O site, O(4) is bonded in a bent 150 degrees geometry to one Th(1) and one P(1) atom. In the third O site, O(5) is bonded in a distorted single-bond geometry to two equivalent Th(1) and one P(1) atom. In the fourth O site, O(6) is bonded in a distorted single-bond geometry to one Na(1), one Th(1), and one P(2) atom. In the fifth O site, O(1) is bonded in a distorted single-bond geometry to one Na(1), one Th(1), and one P(1) atom. In the sixth O site, O(2) is bonded in a distorted single-bond geometry to one Na(1), two equivalent Th(1), and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaTh2(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.450
_cell_length_b   9.450
_cell_length_c   8.235
_cell_angle_alpha   79.676
_cell_angle_beta   79.676
_cell_angle_gamma   42.568
_symmetry_Int_Tables_number   1
_cell_volume   488.249
_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  0.603  0.397  0.250  1.0
  Na  Na1  1  0.397  0.603  0.750  1.0
  Th  Th2  1  0.752  0.942  0.036  1.0
  Th  Th3  1  0.248  0.058  0.964  1.0
  Th  Th4  1  0.058  0.248  0.464  1.0
  Th  Th5  1  0.942  0.752  0.536  1.0
  P  P6  1  0.600  0.779  0.313  1.0
  P  P7  1  0.400  0.221  0.687  1.0
  P  P8  1  0.221  0.400  0.187  1.0
  P  P9  1  0.779  0.600  0.813  1.0
  P  P10  1  0.099  0.901  0.250  1.0
  P  P11  1  0.901  0.099  0.750  1.0
  O  O12  1  0.454  0.269  0.159  1.0
  O  O13  1  0.546  0.731  0.841  1.0
  O  O14  1  0.731  0.546  0.341  1.0
  O  O15  1  0.269  0.454  0.659  1.0
  O  O16  1  0.893  0.964  0.248  1.0
  O  O17  1  0.107  0.036  0.752  1.0
  O  O18  1  0.036  0.107  0.252  1.0
  O  O19  1  0.964  0.893  0.748  1.0
  O  O20  1  0.554  0.852  0.124  1.0
  O  O21  1  0.446  0.148  0.876  1.0
  O  O22  1  0.148  0.446  0.376  1.0
  O  O23  1  0.852  0.554  0.624  1.0
  O  O24  1  0.394  0.913  0.423  1.0
  O  O25  1  0.606  0.087  0.577  1.0
  O  O26  1  0.087  0.606  0.077  1.0
  O  O27  1  0.913  0.394  0.923  1.0
  O  O28  1  0.725  0.824  0.331  1.0
  O  O29  1  0.275  0.176  0.669  1.0
  O  O30  1  0.176  0.275  0.169  1.0
  O  O31  1  0.824  0.725  0.831  1.0
  O  O32  1  0.248  0.801  0.092  1.0
  O  O33  1  0.752  0.199  0.908  1.0
  O  O34  1  0.199  0.752  0.408  1.0
  O  O35  1  0.801  0.248  0.592  1.0
[/CIF]
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The crystal structure described by NaTh2(PO4)3 crystallizes in the monoclinic C2/c space group. Na(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(6) atoms. Th(1) is bonded in a 9-coordinate geometry to one O(1), one O(4), one O(6), two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded in a tetrahedral geometry to one O(1), one O(3), one O(4), and one O(5) atom. In the second P site, P(2) is bonded in a tetrahedral geometry to two equivalent O(2) and two equivalent O(6) atoms. There are six inequivalent O sites. In the first O site, O(3) is bonded in a distorted single-bond geometry to two equivalent Th(1) and one P(1) atom. In the second O site, O(4) is bonded in a bent 150 degrees geometry to one Th(1) and one P(1) atom. In the third O site, O(5) is bonded in a distorted single-bond geometry to two equivalent Th(1) and one P(1) atom. In the fourth O site, O(6) is bonded in a distorted single-bond geometry to one Na(1), one Th(1), and one P(2) atom. In the fifth O site, O(1) is bonded in a distorted single-bond geometry to one Na(1), one Th(1), and one P(1) atom. In the sixth O site, O(2) is bonded in a distorted single-bond geometry to one Na(1), two equivalent Th(1), and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaTh2(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.450
_cell_length_b   9.450
_cell_length_c   8.235
_cell_angle_alpha   79.676
_cell_angle_beta   79.676
_cell_angle_gamma   42.568
_symmetry_Int_Tables_number   1
_cell_volume   488.249
_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  0.603  0.397  0.250  1.0
  Na  Na1  1  0.397  0.603  0.750  1.0
  Th  Th2  1  0.752  0.942  0.036  1.0
  Th  Th3  1  0.248  0.058  0.964  1.0
  Th  Th4  1  0.058  0.248  0.464  1.0
  Th  Th5  1  0.942  0.752  0.536  1.0
  P  P6  1  0.600  0.779  0.313  1.0
  P  P7  1  0.400  0.221  0.687  1.0
  P  P8  1  0.221  0.400  0.187  1.0
  P  P9  1  0.779  0.600  0.813  1.0
  P  P10  1  0.099  0.901  0.250  1.0
  P  P11  1  0.901  0.099  0.750  1.0
  O  O12  1  0.454  0.269  0.159  1.0
  O  O13  1  0.546  0.731  0.841  1.0
  O  O14  1  0.731  0.546  0.341  1.0
  O  O15  1  0.269  0.454  0.659  1.0
  O  O16  1  0.893  0.964  0.248  1.0
  O  O17  1  0.107  0.036  0.752  1.0
  O  O18  1  0.036  0.107  0.252  1.0
  O  O19  1  0.964  0.893  0.748  1.0
  O  O20  1  0.554  0.852  0.124  1.0
  O  O21  1  0.446  0.148  0.876  1.0
  O  O22  1  0.148  0.446  0.376  1.0
  O  O23  1  0.852  0.554  0.624  1.0
  O  O24  1  0.394  0.913  0.423  1.0
  O  O25  1  0.606  0.087  0.577  1.0
  O  O26  1  0.087  0.606  0.077  1.0
  O  O27  1  0.913  0.394  0.923  1.0
  O  O28  1  0.725  0.824  0.331  1.0
  O  O29  1  0.275  0.176  0.669  1.0
  O  O30  1  0.176  0.275  0.169  1.0
  O  O31  1  0.824  0.725  0.831  1.0
  O  O32  1  0.248  0.801  0.092  1.0
  O  O33  1  0.752  0.199  0.908  1.0
  O  O34  1  0.199  0.752  0.408  1.0
  O  O35  1  0.801  0.248  0.592  1.0
[/CIF]
.