The compound described by Th2P3O13 crystallizes in the monoclinic P2_1 space group. There are two inequivalent Th sites. In the first Th site, Th(1) is bonded in a 8-coordinate geometry to one O(10), one O(11), one O(12), one O(2), one O(3), one O(4), one O(5), and one O(7) atom. In the second Th site, Th(2) is bonded in a 9-coordinate geometry to one O(1), one O(10), one O(12), one O(13), one O(2), one O(4), one O(5), one O(8), and one O(9) atom. There are three inequivalent P sites. In the first P site, P(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. In the second P site, P(2) is bonded in a tetrahedral geometry to one O(5), one O(6), one O(7), and one O(8) atom. In the third P site, P(3) is bonded in a tetrahedral geometry to one O(10), one O(11), one O(12), and one O(9) atom. There are thirteen inequivalent O sites. In the first O site, O(12) is bonded in a distorted single-bond geometry to one Th(1), one Th(2), and one P(3) atom. In the second O site, O(13) is bonded in a single-bond geometry to one Th(2) atom. In the third O site, O(1) is bonded in a distorted linear geometry to one Th(2) and one P(1) atom. In the fourth O site, O(2) is bonded in a 3-coordinate geometry to one Th(1), one Th(2), and one P(1) atom. In the fifth O site, O(3) is bonded in a linear geometry to one Th(1) and one P(1) atom. In the sixth O site, O(4) is bonded in a 3-coordinate geometry to one Th(1), one Th(2), and one P(1) atom. In the seventh O site, O(5) is bonded in a distorted single-bond geometry to one Th(1), one Th(2), and one P(2) atom. In the eighth O site, O(6) is bonded in a single-bond geometry to one P(2) atom. In the ninth O site, O(7) is bonded in a bent 120 degrees geometry to one Th(1) and one P(2) atom. In the tenth O site, O(8) is bonded in a distorted single-bond geometry to one Th(2) and one P(2) atom. In the eleventh O site, O(9) is bonded in a linear geometry to one Th(2) and one P(3) atom. In the twelfth O site, O(10) is bonded in a 3-coordinate geometry to one Th(1), one Th(2), and one P(3) atom. In the thirteenth O site, O(11) is bonded in a bent 150 degrees geometry to one Th(1) and one P(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Th2P3O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.113
_cell_length_b   6.787
_cell_length_c   11.325
_cell_angle_alpha   73.009
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   522.827
_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
  Th  Th0  1  0.831  0.298  0.720  1.0
  Th  Th1  1  0.331  0.702  0.280  1.0
  Th  Th2  1  0.830  0.999  0.283  1.0
  Th  Th3  1  0.330  0.001  0.717  1.0
  P  P4  1  0.829  0.494  0.370  1.0
  P  P5  1  0.329  0.506  0.630  1.0
  P  P6  1  0.059  0.840  0.014  1.0
  P  P7  1  0.559  0.160  0.986  1.0
  P  P8  1  0.834  0.872  0.634  1.0
  P  P9  1  0.334  0.128  0.366  1.0
  O  O10  1  0.818  0.318  0.312  1.0
  O  O11  1  0.318  0.682  0.688  1.0
  O  O12  1  0.664  0.649  0.321  1.0
  O  O13  1  0.164  0.351  0.679  1.0
  O  O14  1  0.825  0.410  0.512  1.0
  O  O15  1  0.325  0.590  0.488  1.0
  O  O16  1  0.006  0.631  0.328  1.0
  O  O17  1  0.506  0.369  0.672  1.0
  O  O18  1  0.092  0.005  0.888  1.0
  O  O19  1  0.592  0.995  0.112  1.0
  O  O20  1  0.904  0.708  0.979  1.0
  O  O21  1  0.404  0.292  0.021  1.0
  O  O22  1  0.240  0.721  0.069  1.0
  O  O23  1  0.740  0.279  0.931  1.0
  O  O24  1  0.996  0.941  0.114  1.0
  O  O25  1  0.496  0.059  0.886  1.0
  O  O26  1  0.829  0.898  0.495  1.0
  O  O27  1  0.329  0.102  0.505  1.0
  O  O28  1  0.663  0.982  0.676  1.0
  O  O29  1  0.163  0.018  0.324  1.0
  O  O30  1  0.845  0.641  0.706  1.0
  O  O31  1  0.345  0.359  0.294  1.0
  O  O32  1  0.000  0.998  0.666  1.0
  O  O33  1  0.500  0.002  0.334  1.0
  O  O34  1  0.454  0.715  0.908  1.0
  O  O35  1  0.954  0.285  0.092  1.0
[/CIF]
.
The compound described by Th2P3O13 crystallizes in the monoclinic P2_1 space group. There are two inequivalent Th sites. In the first Th site, Th(1) is bonded in a 8-coordinate geometry to one O(10), one O(11), one O(12), one O(2), one O(3), one O(4), one O(5), and one O(7) atom. In the second Th site, Th(2) is bonded in a 9-coordinate geometry to one O(1), one O(10), one O(12), one O(13), one O(2), one O(4), one O(5), one O(8), and one O(9) atom. There are three inequivalent P sites. In the first P site, P(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. In the second P site, P(2) is bonded in a tetrahedral geometry to one O(5), one O(6), one O(7), and one O(8) atom. In the third P site, P(3) is bonded in a tetrahedral geometry to one O(10), one O(11), one O(12), and one O(9) atom. There are thirteen inequivalent O sites. In the first O site, O(12) is bonded in a distorted single-bond geometry to one Th(1), one Th(2), and one P(3) atom. In the second O site, O(13) is bonded in a single-bond geometry to one Th(2) atom. In the third O site, O(1) is bonded in a distorted linear geometry to one Th(2) and one P(1) atom. In the fourth O site, O(2) is bonded in a 3-coordinate geometry to one Th(1), one Th(2), and one P(1) atom. In the fifth O site, O(3) is bonded in a linear geometry to one Th(1) and one P(1) atom. In the sixth O site, O(4) is bonded in a 3-coordinate geometry to one Th(1), one Th(2), and one P(1) atom. In the seventh O site, O(5) is bonded in a distorted single-bond geometry to one Th(1), one Th(2), and one P(2) atom. In the eighth O site, O(6) is bonded in a single-bond geometry to one P(2) atom. In the ninth O site, O(7) is bonded in a bent 120 degrees geometry to one Th(1) and one P(2) atom. In the tenth O site, O(8) is bonded in a distorted single-bond geometry to one Th(2) and one P(2) atom. In the eleventh O site, O(9) is bonded in a linear geometry to one Th(2) and one P(3) atom. In the twelfth O site, O(10) is bonded in a 3-coordinate geometry to one Th(1), one Th(2), and one P(3) atom. In the thirteenth O site, O(11) is bonded in a bent 150 degrees geometry to one Th(1) and one P(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Th2P3O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.113
_cell_length_b   6.787
_cell_length_c   11.325
_cell_angle_alpha   73.009
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   522.827
_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
  Th  Th0  1  0.831  0.298  0.720  1.0
  Th  Th1  1  0.331  0.702  0.280  1.0
  Th  Th2  1  0.830  0.999  0.283  1.0
  Th  Th3  1  0.330  0.001  0.717  1.0
  P  P4  1  0.829  0.494  0.370  1.0
  P  P5  1  0.329  0.506  0.630  1.0
  P  P6  1  0.059  0.840  0.014  1.0
  P  P7  1  0.559  0.160  0.986  1.0
  P  P8  1  0.834  0.872  0.634  1.0
  P  P9  1  0.334  0.128  0.366  1.0
  O  O10  1  0.818  0.318  0.312  1.0
  O  O11  1  0.318  0.682  0.688  1.0
  O  O12  1  0.664  0.649  0.321  1.0
  O  O13  1  0.164  0.351  0.679  1.0
  O  O14  1  0.825  0.410  0.512  1.0
  O  O15  1  0.325  0.590  0.488  1.0
  O  O16  1  0.006  0.631  0.328  1.0
  O  O17  1  0.506  0.369  0.672  1.0
  O  O18  1  0.092  0.005  0.888  1.0
  O  O19  1  0.592  0.995  0.112  1.0
  O  O20  1  0.904  0.708  0.979  1.0
  O  O21  1  0.404  0.292  0.021  1.0
  O  O22  1  0.240  0.721  0.069  1.0
  O  O23  1  0.740  0.279  0.931  1.0
  O  O24  1  0.996  0.941  0.114  1.0
  O  O25  1  0.496  0.059  0.886  1.0
  O  O26  1  0.829  0.898  0.495  1.0
  O  O27  1  0.329  0.102  0.505  1.0
  O  O28  1  0.663  0.982  0.676  1.0
  O  O29  1  0.163  0.018  0.324  1.0
  O  O30  1  0.845  0.641  0.706  1.0
  O  O31  1  0.345  0.359  0.294  1.0
  O  O32  1  0.000  0.998  0.666  1.0
  O  O33  1  0.500  0.002  0.334  1.0
  O  O34  1  0.454  0.715  0.908  1.0
  O  O35  1  0.954  0.285  0.092  1.0
[/CIF]
.