The material described by KTh2(PO4)3 crystallizes in the monoclinic C2/c space group. K(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(4), and four equivalent O(2) atoms. Th(1) is bonded in a 9-coordinate geometry to one O(2), one O(4), one O(6), two equivalent O(1), 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(3), one O(4), one O(5), and one O(6) atom. In the second P site, P(2) is bonded in a tetrahedral geometry to two equivalent O(1) and two equivalent O(2) 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 3-coordinate geometry to one K(1), 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 bent 150 degrees geometry to one Th(1) and one P(1) atom. In the fifth O site, O(1) is bonded in a distorted single-bond geometry to one K(1), two equivalent Th(1), and one P(2) atom. In the sixth O site, O(2) is bonded in a distorted single-bond geometry to two equivalent K(1), one Th(1), and one P(2) atom. is represented by the CIF card [CIF]
data_KTh2(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.560
_cell_length_b   9.560
_cell_length_c   8.234
_cell_angle_alpha   78.811
_cell_angle_beta   78.811
_cell_angle_gamma   42.367
_symmetry_Int_Tables_number   1
_cell_volume   496.034
_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
  K  K0  1  0.598  0.402  0.250  1.0
  K  K1  1  0.402  0.598  0.750  1.0
  Th  Th2  1  0.752  0.941  0.035  1.0
  Th  Th3  1  0.059  0.248  0.465  1.0
  Th  Th4  1  0.248  0.059  0.965  1.0
  Th  Th5  1  0.941  0.752  0.535  1.0
  P  P6  1  0.600  0.781  0.315  1.0
  P  P7  1  0.219  0.400  0.185  1.0
  P  P8  1  0.400  0.219  0.685  1.0
  P  P9  1  0.781  0.600  0.815  1.0
  P  P10  1  0.097  0.903  0.250  1.0
  P  P11  1  0.903  0.097  0.750  1.0
  O  O12  1  0.896  0.960  0.246  1.0
  O  O13  1  0.040  0.104  0.254  1.0
  O  O14  1  0.104  0.040  0.754  1.0
  O  O15  1  0.960  0.896  0.746  1.0
  O  O16  1  0.246  0.806  0.091  1.0
  O  O17  1  0.194  0.754  0.409  1.0
  O  O18  1  0.754  0.194  0.909  1.0
  O  O19  1  0.806  0.246  0.591  1.0
  O  O20  1  0.725  0.826  0.330  1.0
  O  O21  1  0.174  0.275  0.170  1.0
  O  O22  1  0.275  0.174  0.670  1.0
  O  O23  1  0.826  0.725  0.830  1.0
  O  O24  1  0.736  0.548  0.345  1.0
  O  O25  1  0.452  0.264  0.155  1.0
  O  O26  1  0.264  0.452  0.655  1.0
  O  O27  1  0.548  0.736  0.845  1.0
  O  O28  1  0.552  0.855  0.127  1.0
  O  O29  1  0.145  0.448  0.373  1.0
  O  O30  1  0.448  0.145  0.873  1.0
  O  O31  1  0.855  0.552  0.627  1.0
  O  O32  1  0.397  0.912  0.426  1.0
  O  O33  1  0.088  0.603  0.074  1.0
  O  O34  1  0.603  0.088  0.574  1.0
  O  O35  1  0.912  0.397  0.926  1.0
[/CIF]
.
The material described by KTh2(PO4)3 crystallizes in the monoclinic C2/c space group. K(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(4), and four equivalent O(2) atoms. Th(1) is bonded in a 9-coordinate geometry to one O(2), one O(4), one O(6), two equivalent O(1), 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(3), one O(4), one O(5), and one O(6) atom. In the second P site, P(2) is bonded in a tetrahedral geometry to two equivalent O(1) and two equivalent O(2) 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 3-coordinate geometry to one K(1), 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 bent 150 degrees geometry to one Th(1) and one P(1) atom. In the fifth O site, O(1) is bonded in a distorted single-bond geometry to one K(1), two equivalent Th(1), and one P(2) atom. In the sixth O site, O(2) is bonded in a distorted single-bond geometry to two equivalent K(1), one Th(1), and one P(2) atom. is represented by the CIF card [CIF]
data_KTh2(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.560
_cell_length_b   9.560
_cell_length_c   8.234
_cell_angle_alpha   78.811
_cell_angle_beta   78.811
_cell_angle_gamma   42.367
_symmetry_Int_Tables_number   1
_cell_volume   496.034
_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
  K  K0  1  0.598  0.402  0.250  1.0
  K  K1  1  0.402  0.598  0.750  1.0
  Th  Th2  1  0.752  0.941  0.035  1.0
  Th  Th3  1  0.059  0.248  0.465  1.0
  Th  Th4  1  0.248  0.059  0.965  1.0
  Th  Th5  1  0.941  0.752  0.535  1.0
  P  P6  1  0.600  0.781  0.315  1.0
  P  P7  1  0.219  0.400  0.185  1.0
  P  P8  1  0.400  0.219  0.685  1.0
  P  P9  1  0.781  0.600  0.815  1.0
  P  P10  1  0.097  0.903  0.250  1.0
  P  P11  1  0.903  0.097  0.750  1.0
  O  O12  1  0.896  0.960  0.246  1.0
  O  O13  1  0.040  0.104  0.254  1.0
  O  O14  1  0.104  0.040  0.754  1.0
  O  O15  1  0.960  0.896  0.746  1.0
  O  O16  1  0.246  0.806  0.091  1.0
  O  O17  1  0.194  0.754  0.409  1.0
  O  O18  1  0.754  0.194  0.909  1.0
  O  O19  1  0.806  0.246  0.591  1.0
  O  O20  1  0.725  0.826  0.330  1.0
  O  O21  1  0.174  0.275  0.170  1.0
  O  O22  1  0.275  0.174  0.670  1.0
  O  O23  1  0.826  0.725  0.830  1.0
  O  O24  1  0.736  0.548  0.345  1.0
  O  O25  1  0.452  0.264  0.155  1.0
  O  O26  1  0.264  0.452  0.655  1.0
  O  O27  1  0.548  0.736  0.845  1.0
  O  O28  1  0.552  0.855  0.127  1.0
  O  O29  1  0.145  0.448  0.373  1.0
  O  O30  1  0.448  0.145  0.873  1.0
  O  O31  1  0.855  0.552  0.627  1.0
  O  O32  1  0.397  0.912  0.426  1.0
  O  O33  1  0.088  0.603  0.074  1.0
  O  O34  1  0.603  0.088  0.574  1.0
  O  O35  1  0.912  0.397  0.926  1.0
[/CIF]
.