The structure described by CuTh2(PO4)3 crystallizes in the monoclinic C2/c space group. Th(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(4), one O(6), two equivalent O(3), and two equivalent O(5) atoms. Cu(1) is bonded in a linear geometry to two equivalent O(2) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded in a tetrahedral geometry to two equivalent O(1) and two equivalent O(2) atoms. In the second P site, P(2) is bonded in a tetrahedral geometry to one O(3), one O(4), one O(5), and one O(6) atom. There are six inequivalent O sites. In the first O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Th(1) and one P(2) atom. In the second O site, O(4) is bonded in a bent 150 degrees geometry to one Th(1) and one P(2) atom. In the third O site, O(5) is bonded in a distorted single-bond geometry to two equivalent Th(1) and one P(2) atom. In the fourth O site, O(6) is bonded in a distorted linear geometry to one Th(1) and one P(2) atom. In the fifth O site, O(1) is bonded in a distorted linear geometry to one Th(1) and one P(1) atom. In the sixth O site, O(2) is bonded in a distorted trigonal planar geometry to one Th(1), one Cu(1), and one P(1) atom. is represented by the CIF card [CIF]
data_Th2Cu(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.551
_cell_length_b   11.551
_cell_length_c   7.127
_cell_angle_alpha   73.664
_cell_angle_beta   73.664
_cell_angle_gamma   34.188
_symmetry_Int_Tables_number   1
_cell_volume   510.731
_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  0.993  0.286  0.343  1.0
  Th  Th1  1  0.714  0.007  0.157  1.0
  Th  Th2  1  0.007  0.714  0.657  1.0
  Th  Th3  1  0.286  0.993  0.843  1.0
  Cu  Cu4  1  0.500  0.500  0.000  1.0
  Cu  Cu5  1  0.500  0.500  0.500  1.0
  P  P6  1  0.859  0.141  0.750  1.0
  P  P7  1  0.141  0.859  0.250  1.0
  P  P8  1  0.136  0.501  0.195  1.0
  P  P9  1  0.499  0.864  0.305  1.0
  P  P10  1  0.864  0.499  0.805  1.0
  P  P11  1  0.501  0.136  0.695  1.0
  O  O12  1  0.039  0.066  0.789  1.0
  O  O13  1  0.934  0.961  0.711  1.0
  O  O14  1  0.961  0.934  0.211  1.0
  O  O15  1  0.066  0.039  0.289  1.0
  O  O16  1  0.759  0.312  0.573  1.0
  O  O17  1  0.688  0.241  0.927  1.0
  O  O18  1  0.241  0.688  0.427  1.0
  O  O19  1  0.312  0.759  0.073  1.0
  O  O20  1  0.017  0.642  0.362  1.0
  O  O21  1  0.358  0.983  0.138  1.0
  O  O22  1  0.983  0.358  0.638  1.0
  O  O23  1  0.642  0.017  0.862  1.0
  O  O24  1  0.340  0.368  0.678  1.0
  O  O25  1  0.632  0.660  0.822  1.0
  O  O26  1  0.660  0.632  0.322  1.0
  O  O27  1  0.368  0.340  0.178  1.0
  O  O28  1  0.662  0.032  0.508  1.0
  O  O29  1  0.968  0.338  0.992  1.0
  O  O30  1  0.338  0.968  0.492  1.0
  O  O31  1  0.032  0.662  0.008  1.0
  O  O32  1  0.396  0.100  0.724  1.0
  O  O33  1  0.900  0.604  0.776  1.0
  O  O34  1  0.604  0.900  0.276  1.0
  O  O35  1  0.100  0.396  0.224  1.0
[/CIF]
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The structure described by CuTh2(PO4)3 crystallizes in the monoclinic C2/c space group. Th(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(4), one O(6), two equivalent O(3), and two equivalent O(5) atoms. Cu(1) is bonded in a linear geometry to two equivalent O(2) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded in a tetrahedral geometry to two equivalent O(1) and two equivalent O(2) atoms. In the second P site, P(2) is bonded in a tetrahedral geometry to one O(3), one O(4), one O(5), and one O(6) atom. There are six inequivalent O sites. In the first O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Th(1) and one P(2) atom. In the second O site, O(4) is bonded in a bent 150 degrees geometry to one Th(1) and one P(2) atom. In the third O site, O(5) is bonded in a distorted single-bond geometry to two equivalent Th(1) and one P(2) atom. In the fourth O site, O(6) is bonded in a distorted linear geometry to one Th(1) and one P(2) atom. In the fifth O site, O(1) is bonded in a distorted linear geometry to one Th(1) and one P(1) atom. In the sixth O site, O(2) is bonded in a distorted trigonal planar geometry to one Th(1), one Cu(1), and one P(1) atom. is represented by the CIF card [CIF]
data_Th2Cu(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.551
_cell_length_b   11.551
_cell_length_c   7.127
_cell_angle_alpha   73.664
_cell_angle_beta   73.664
_cell_angle_gamma   34.188
_symmetry_Int_Tables_number   1
_cell_volume   510.731
_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  0.993  0.286  0.343  1.0
  Th  Th1  1  0.714  0.007  0.157  1.0
  Th  Th2  1  0.007  0.714  0.657  1.0
  Th  Th3  1  0.286  0.993  0.843  1.0
  Cu  Cu4  1  0.500  0.500  0.000  1.0
  Cu  Cu5  1  0.500  0.500  0.500  1.0
  P  P6  1  0.859  0.141  0.750  1.0
  P  P7  1  0.141  0.859  0.250  1.0
  P  P8  1  0.136  0.501  0.195  1.0
  P  P9  1  0.499  0.864  0.305  1.0
  P  P10  1  0.864  0.499  0.805  1.0
  P  P11  1  0.501  0.136  0.695  1.0
  O  O12  1  0.039  0.066  0.789  1.0
  O  O13  1  0.934  0.961  0.711  1.0
  O  O14  1  0.961  0.934  0.211  1.0
  O  O15  1  0.066  0.039  0.289  1.0
  O  O16  1  0.759  0.312  0.573  1.0
  O  O17  1  0.688  0.241  0.927  1.0
  O  O18  1  0.241  0.688  0.427  1.0
  O  O19  1  0.312  0.759  0.073  1.0
  O  O20  1  0.017  0.642  0.362  1.0
  O  O21  1  0.358  0.983  0.138  1.0
  O  O22  1  0.983  0.358  0.638  1.0
  O  O23  1  0.642  0.017  0.862  1.0
  O  O24  1  0.340  0.368  0.678  1.0
  O  O25  1  0.632  0.660  0.822  1.0
  O  O26  1  0.660  0.632  0.322  1.0
  O  O27  1  0.368  0.340  0.178  1.0
  O  O28  1  0.662  0.032  0.508  1.0
  O  O29  1  0.968  0.338  0.992  1.0
  O  O30  1  0.338  0.968  0.492  1.0
  O  O31  1  0.032  0.662  0.008  1.0
  O  O32  1  0.396  0.100  0.724  1.0
  O  O33  1  0.900  0.604  0.776  1.0
  O  O34  1  0.604  0.900  0.276  1.0
  O  O35  1  0.100  0.396  0.224  1.0
[/CIF]
.