The crystal structure described by Th4PbP6O24 crystallizes in the triclinic P1 space group. There are four inequivalent Th sites. In the first Th site, Th(1) is bonded in a 9-coordinate geometry to one O(11), one O(15), one O(18), one O(2), one O(21), one O(24), one O(5), one O(8), and one O(9) 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(16), one O(17), one O(22), one O(23), one O(6), and one O(7) atom. In the third Th site, Th(3) is bonded in a 9-coordinate geometry to one O(11), one O(13), one O(20), one O(22), one O(23), one O(4), one O(6), one O(7), and one O(9) atom. In the fourth Th site, Th(4) is bonded in a 9-coordinate geometry to one O(10), one O(12), one O(14), one O(19), one O(21), one O(24), one O(3), one O(5), and one O(8) atom. Pb(1) is bonded in a 6-coordinate geometry to one O(1), one O(14), one O(16), one O(19), one O(2), and one O(21) atom. There are six inequivalent P sites. In the first P site, P(1) is bonded in a tetrahedral geometry to one O(13), one O(14), one O(21), and one O(22) atom. In the second P site, P(2) is bonded in a tetrahedral geometry to one O(15), one O(16), one O(23), and one O(24) atom. In the third P site, P(3) is bonded in a tetrahedral geometry to one O(1), one O(17), one O(5), and one O(9) atom. In the fourth P site, P(4) is bonded in a tetrahedral geometry to one O(10), one O(18), one O(2), and one O(6) atom. In the fifth P site, P(5) is bonded in a tetrahedral geometry to one O(11), one O(19), one O(3), and one O(7) atom. In the sixth P site, P(6) is bonded in a tetrahedral geometry to one O(12), one O(20), one O(4), and one O(8) atom. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Th(2), one Pb(1), and one P(3) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Th(1), one Pb(1), and one P(4) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Th(4) and one P(5) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Th(3) and one P(6) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Th(1), one Th(4), and one P(3) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one Th(2), one Th(3), and one P(4) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to one Th(2), one Th(3), and one P(5) atom. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to one Th(1), one Th(4), and one P(6) atom. In the ninth O site, O(9) is bonded in a distorted single-bond geometry to one Th(1), one Th(3), and one P(3) atom. In the tenth O site, O(10) is bonded in a distorted single-bond geometry to one Th(2), one Th(4), and one P(4) atom. In the eleventh O site, O(11) is bonded in a distorted single-bond geometry to one Th(1), one Th(3), and one P(5) atom. In the twelfth O site, O(12) is bonded in a distorted single-bond geometry to one Th(2), one Th(4), and one P(6) atom. In the thirteenth O site, O(13) is bonded in a distorted water-like geometry to one Th(3) and one P(1) atom. In the fourteenth O site, O(14) is bonded in a distorted single-bond geometry to one Th(4), one Pb(1), and one P(1) atom. In the fifteenth O site, O(15) is bonded in a water-like geometry to one Th(1) and one P(2) atom. In the sixteenth O site, O(16) is bonded in a distorted single-bond geometry to one Th(2), one Pb(1), and one P(2) atom. In the seventeenth O site, O(17) is bonded in a bent 150 degrees geometry to one Th(2) and one P(3) atom. In the eighteenth O site, O(18) is bonded in a bent 150 degrees geometry to one Th(1) and one P(4) atom. In the nineteenth O site, O(19) is bonded in a 1-coordinate geometry to one Th(4), one Pb(1), and one P(5) atom. In the twentieth O site, O(20) is bonded in a bent 150 degrees geometry to one Th(3) and one P(6) atom. In the twenty-first O site, O(21) is bonded in a distorted single-bond geometry to one Th(1), one Th(4), one Pb(1), and one P(1) atom. In the twenty-second O site, O(22) is bonded in a distorted single-bond geometry to one Th(2), one Th(3), and one P(1) atom. In the twenty-third O site, O(23) is bonded in a distorted single-bond geometry to one Th(2), one Th(3), and one P(2) atom. In the twenty-fourth O site, O(24) is bonded in a distorted single-bond geometry to one Th(1), one Th(4), and one P(2) atom. is represented by the CIF card [CIF]
data_Th4P6PbO24
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.912
_cell_length_b   8.229
_cell_length_c   9.450
_cell_angle_alpha   100.830
_cell_angle_beta   111.143
_cell_angle_gamma   90.027
_symmetry_Int_Tables_number   1
_cell_volume   491.019
_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
  Th  Th0  1  0.755  0.466  0.694  1.0
  Th  Th1  1  0.067  0.035  0.311  1.0
  Th  Th2  1  0.249  0.539  0.302  1.0
  Th  Th3  1  0.940  0.958  0.687  1.0
  P  P4  1  0.094  0.249  1.000  1.0
  P  P5  1  0.902  0.750  0.997  1.0
  P  P6  1  0.598  0.186  0.376  1.0
  P  P7  1  0.223  0.315  0.624  1.0
  P  P8  1  0.401  0.815  0.625  1.0
  P  P9  1  0.777  0.684  0.374  1.0
  Pb  Pb10  1  0.572  0.131  0.953  1.0
  O  O11  1  0.728  0.156  0.271  1.0
  O  O12  1  0.457  0.337  0.724  1.0
  O  O13  1  0.270  0.850  0.728  1.0
  O  O14  1  0.543  0.657  0.282  1.0
  O  O15  1  0.728  0.168  0.545  1.0
  O  O16  1  0.180  0.330  0.453  1.0
  O  O17  1  0.277  0.832  0.455  1.0
  O  O18  1  0.823  0.671  0.548  1.0
  O  O19  1  0.549  0.373  0.403  1.0
  O  O20  1  0.148  0.127  0.600  1.0
  O  O21  1  0.453  0.629  0.600  1.0
  O  O22  1  0.854  0.872  0.401  1.0
  O  O23  1  0.239  0.408  0.049  1.0
  O  O24  1  0.198  0.093  0.947  1.0
  O  O25  1  0.764  0.588  0.947  1.0
  O  O26  1  0.807  0.914  0.047  1.0
  O  O27  1  0.396  0.074  0.306  1.0
  O  O28  1  0.090  0.427  0.695  1.0
  O  O29  1  0.600  0.934  0.703  1.0
  O  O30  1  0.911  0.572  0.305  1.0
  O  O31  1  0.890  0.245  0.856  1.0
  O  O32  1  0.034  0.240  0.142  1.0
  O  O33  1  0.096  0.752  0.147  1.0
  O  O34  1  0.954  0.758  0.851  1.0
[/CIF]
.
The crystal structure described by Th4PbP6O24 crystallizes in the triclinic P1 space group. There are four inequivalent Th sites. In the first Th site, Th(1) is bonded in a 9-coordinate geometry to one O(11), one O(15), one O(18), one O(2), one O(21), one O(24), one O(5), one O(8), and one O(9) 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(16), one O(17), one O(22), one O(23), one O(6), and one O(7) atom. In the third Th site, Th(3) is bonded in a 9-coordinate geometry to one O(11), one O(13), one O(20), one O(22), one O(23), one O(4), one O(6), one O(7), and one O(9) atom. In the fourth Th site, Th(4) is bonded in a 9-coordinate geometry to one O(10), one O(12), one O(14), one O(19), one O(21), one O(24), one O(3), one O(5), and one O(8) atom. Pb(1) is bonded in a 6-coordinate geometry to one O(1), one O(14), one O(16), one O(19), one O(2), and one O(21) atom. There are six inequivalent P sites. In the first P site, P(1) is bonded in a tetrahedral geometry to one O(13), one O(14), one O(21), and one O(22) atom. In the second P site, P(2) is bonded in a tetrahedral geometry to one O(15), one O(16), one O(23), and one O(24) atom. In the third P site, P(3) is bonded in a tetrahedral geometry to one O(1), one O(17), one O(5), and one O(9) atom. In the fourth P site, P(4) is bonded in a tetrahedral geometry to one O(10), one O(18), one O(2), and one O(6) atom. In the fifth P site, P(5) is bonded in a tetrahedral geometry to one O(11), one O(19), one O(3), and one O(7) atom. In the sixth P site, P(6) is bonded in a tetrahedral geometry to one O(12), one O(20), one O(4), and one O(8) atom. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Th(2), one Pb(1), and one P(3) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Th(1), one Pb(1), and one P(4) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Th(4) and one P(5) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Th(3) and one P(6) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Th(1), one Th(4), and one P(3) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one Th(2), one Th(3), and one P(4) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to one Th(2), one Th(3), and one P(5) atom. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to one Th(1), one Th(4), and one P(6) atom. In the ninth O site, O(9) is bonded in a distorted single-bond geometry to one Th(1), one Th(3), and one P(3) atom. In the tenth O site, O(10) is bonded in a distorted single-bond geometry to one Th(2), one Th(4), and one P(4) atom. In the eleventh O site, O(11) is bonded in a distorted single-bond geometry to one Th(1), one Th(3), and one P(5) atom. In the twelfth O site, O(12) is bonded in a distorted single-bond geometry to one Th(2), one Th(4), and one P(6) atom. In the thirteenth O site, O(13) is bonded in a distorted water-like geometry to one Th(3) and one P(1) atom. In the fourteenth O site, O(14) is bonded in a distorted single-bond geometry to one Th(4), one Pb(1), and one P(1) atom. In the fifteenth O site, O(15) is bonded in a water-like geometry to one Th(1) and one P(2) atom. In the sixteenth O site, O(16) is bonded in a distorted single-bond geometry to one Th(2), one Pb(1), and one P(2) atom. In the seventeenth O site, O(17) is bonded in a bent 150 degrees geometry to one Th(2) and one P(3) atom. In the eighteenth O site, O(18) is bonded in a bent 150 degrees geometry to one Th(1) and one P(4) atom. In the nineteenth O site, O(19) is bonded in a 1-coordinate geometry to one Th(4), one Pb(1), and one P(5) atom. In the twentieth O site, O(20) is bonded in a bent 150 degrees geometry to one Th(3) and one P(6) atom. In the twenty-first O site, O(21) is bonded in a distorted single-bond geometry to one Th(1), one Th(4), one Pb(1), and one P(1) atom. In the twenty-second O site, O(22) is bonded in a distorted single-bond geometry to one Th(2), one Th(3), and one P(1) atom. In the twenty-third O site, O(23) is bonded in a distorted single-bond geometry to one Th(2), one Th(3), and one P(2) atom. In the twenty-fourth O site, O(24) is bonded in a distorted single-bond geometry to one Th(1), one Th(4), and one P(2) atom. is represented by the CIF card [CIF]
data_Th4P6PbO24
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.912
_cell_length_b   8.229
_cell_length_c   9.450
_cell_angle_alpha   100.830
_cell_angle_beta   111.143
_cell_angle_gamma   90.027
_symmetry_Int_Tables_number   1
_cell_volume   491.019
_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
  Th  Th0  1  0.755  0.466  0.694  1.0
  Th  Th1  1  0.067  0.035  0.311  1.0
  Th  Th2  1  0.249  0.539  0.302  1.0
  Th  Th3  1  0.940  0.958  0.687  1.0
  P  P4  1  0.094  0.249  1.000  1.0
  P  P5  1  0.902  0.750  0.997  1.0
  P  P6  1  0.598  0.186  0.376  1.0
  P  P7  1  0.223  0.315  0.624  1.0
  P  P8  1  0.401  0.815  0.625  1.0
  P  P9  1  0.777  0.684  0.374  1.0
  Pb  Pb10  1  0.572  0.131  0.953  1.0
  O  O11  1  0.728  0.156  0.271  1.0
  O  O12  1  0.457  0.337  0.724  1.0
  O  O13  1  0.270  0.850  0.728  1.0
  O  O14  1  0.543  0.657  0.282  1.0
  O  O15  1  0.728  0.168  0.545  1.0
  O  O16  1  0.180  0.330  0.453  1.0
  O  O17  1  0.277  0.832  0.455  1.0
  O  O18  1  0.823  0.671  0.548  1.0
  O  O19  1  0.549  0.373  0.403  1.0
  O  O20  1  0.148  0.127  0.600  1.0
  O  O21  1  0.453  0.629  0.600  1.0
  O  O22  1  0.854  0.872  0.401  1.0
  O  O23  1  0.239  0.408  0.049  1.0
  O  O24  1  0.198  0.093  0.947  1.0
  O  O25  1  0.764  0.588  0.947  1.0
  O  O26  1  0.807  0.914  0.047  1.0
  O  O27  1  0.396  0.074  0.306  1.0
  O  O28  1  0.090  0.427  0.695  1.0
  O  O29  1  0.600  0.934  0.703  1.0
  O  O30  1  0.911  0.572  0.305  1.0
  O  O31  1  0.890  0.245  0.856  1.0
  O  O32  1  0.034  0.240  0.142  1.0
  O  O33  1  0.096  0.752  0.147  1.0
  O  O34  1  0.954  0.758  0.851  1.0
[/CIF]
.