The material described by RbTh2(PO4)3 crystallizes in the monoclinic C2/c space group. Rb(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(5), and four equivalent O(2) atoms. Th(1) is bonded in a 9-coordinate geometry to one O(1), one O(2), one O(3), two equivalent O(4), two equivalent O(5), and two equivalent O(6) 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(6) atom. In the second P site, P(2) is bonded in a tetrahedral geometry to two equivalent O(2) and two equivalent O(5) atoms. There are six inequivalent O sites. In the first O site, O(6) is bonded in a distorted single-bond geometry to two equivalent Th(1) and one P(1) atom. In the second O site, O(1) is bonded in a 3-coordinate geometry to one Rb(1), one Th(1), and one P(1) atom. In the third O site, O(2) is bonded in a distorted single-bond geometry to two equivalent Rb(1), one Th(1), and one P(2) atom. In the fourth O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Th(1) and one P(1) atom. In the fifth O site, O(4) is bonded in a distorted single-bond geometry to two equivalent Th(1) and one P(1) atom. In the sixth O site, O(5) is bonded in a distorted single-bond geometry to one Rb(1), two equivalent Th(1), and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_RbTh2(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.636
_cell_length_b   9.636
_cell_length_c   8.241
_cell_angle_alpha   78.318
_cell_angle_beta   78.318
_cell_angle_gamma   42.334
_symmetry_Int_Tables_number   1
_cell_volume   502.997
_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
  Rb  Rb0  1  0.406  0.594  0.750  1.0
  Rb  Rb1  1  0.594  0.406  0.250  1.0
  Th  Th2  1  0.060  0.249  0.466  1.0
  Th  Th3  1  0.249  0.060  0.966  1.0
  Th  Th4  1  0.751  0.940  0.034  1.0
  Th  Th5  1  0.940  0.751  0.534  1.0
  P  P6  1  0.600  0.783  0.318  1.0
  P  P7  1  0.400  0.217  0.682  1.0
  P  P8  1  0.095  0.905  0.250  1.0
  P  P9  1  0.217  0.400  0.182  1.0
  P  P10  1  0.905  0.095  0.750  1.0
  P  P11  1  0.783  0.600  0.818  1.0
  O  O12  1  0.262  0.449  0.650  1.0
  O  O13  1  0.757  0.188  0.909  1.0
  O  O14  1  0.603  0.088  0.571  1.0
  O  O15  1  0.448  0.144  0.870  1.0
  O  O16  1  0.449  0.262  0.150  1.0
  O  O17  1  0.041  0.102  0.257  1.0
  O  O18  1  0.959  0.898  0.743  1.0
  O  O19  1  0.898  0.959  0.243  1.0
  O  O20  1  0.856  0.552  0.630  1.0
  O  O21  1  0.243  0.812  0.091  1.0
  O  O22  1  0.829  0.724  0.830  1.0
  O  O23  1  0.738  0.551  0.350  1.0
  O  O24  1  0.912  0.397  0.929  1.0
  O  O25  1  0.188  0.757  0.409  1.0
  O  O26  1  0.812  0.243  0.591  1.0
  O  O27  1  0.088  0.603  0.071  1.0
  O  O28  1  0.552  0.856  0.130  1.0
  O  O29  1  0.144  0.448  0.370  1.0
  O  O30  1  0.171  0.276  0.170  1.0
  O  O31  1  0.551  0.738  0.850  1.0
  O  O32  1  0.276  0.171  0.670  1.0
  O  O33  1  0.102  0.041  0.757  1.0
  O  O34  1  0.397  0.912  0.429  1.0
  O  O35  1  0.724  0.829  0.330  1.0
[/CIF]
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The material described by RbTh2(PO4)3 crystallizes in the monoclinic C2/c space group. Rb(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(5), and four equivalent O(2) atoms. Th(1) is bonded in a 9-coordinate geometry to one O(1), one O(2), one O(3), two equivalent O(4), two equivalent O(5), and two equivalent O(6) 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(6) atom. In the second P site, P(2) is bonded in a tetrahedral geometry to two equivalent O(2) and two equivalent O(5) atoms. There are six inequivalent O sites. In the first O site, O(6) is bonded in a distorted single-bond geometry to two equivalent Th(1) and one P(1) atom. In the second O site, O(1) is bonded in a 3-coordinate geometry to one Rb(1), one Th(1), and one P(1) atom. In the third O site, O(2) is bonded in a distorted single-bond geometry to two equivalent Rb(1), one Th(1), and one P(2) atom. In the fourth O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Th(1) and one P(1) atom. In the fifth O site, O(4) is bonded in a distorted single-bond geometry to two equivalent Th(1) and one P(1) atom. In the sixth O site, O(5) is bonded in a distorted single-bond geometry to one Rb(1), two equivalent Th(1), and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_RbTh2(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.636
_cell_length_b   9.636
_cell_length_c   8.241
_cell_angle_alpha   78.318
_cell_angle_beta   78.318
_cell_angle_gamma   42.334
_symmetry_Int_Tables_number   1
_cell_volume   502.997
_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
  Rb  Rb0  1  0.406  0.594  0.750  1.0
  Rb  Rb1  1  0.594  0.406  0.250  1.0
  Th  Th2  1  0.060  0.249  0.466  1.0
  Th  Th3  1  0.249  0.060  0.966  1.0
  Th  Th4  1  0.751  0.940  0.034  1.0
  Th  Th5  1  0.940  0.751  0.534  1.0
  P  P6  1  0.600  0.783  0.318  1.0
  P  P7  1  0.400  0.217  0.682  1.0
  P  P8  1  0.095  0.905  0.250  1.0
  P  P9  1  0.217  0.400  0.182  1.0
  P  P10  1  0.905  0.095  0.750  1.0
  P  P11  1  0.783  0.600  0.818  1.0
  O  O12  1  0.262  0.449  0.650  1.0
  O  O13  1  0.757  0.188  0.909  1.0
  O  O14  1  0.603  0.088  0.571  1.0
  O  O15  1  0.448  0.144  0.870  1.0
  O  O16  1  0.449  0.262  0.150  1.0
  O  O17  1  0.041  0.102  0.257  1.0
  O  O18  1  0.959  0.898  0.743  1.0
  O  O19  1  0.898  0.959  0.243  1.0
  O  O20  1  0.856  0.552  0.630  1.0
  O  O21  1  0.243  0.812  0.091  1.0
  O  O22  1  0.829  0.724  0.830  1.0
  O  O23  1  0.738  0.551  0.350  1.0
  O  O24  1  0.912  0.397  0.929  1.0
  O  O25  1  0.188  0.757  0.409  1.0
  O  O26  1  0.812  0.243  0.591  1.0
  O  O27  1  0.088  0.603  0.071  1.0
  O  O28  1  0.552  0.856  0.130  1.0
  O  O29  1  0.144  0.448  0.370  1.0
  O  O30  1  0.171  0.276  0.170  1.0
  O  O31  1  0.551  0.738  0.850  1.0
  O  O32  1  0.276  0.171  0.670  1.0
  O  O33  1  0.102  0.041  0.757  1.0
  O  O34  1  0.397  0.912  0.429  1.0
  O  O35  1  0.724  0.829  0.330  1.0
[/CIF]
.