The material described by K2Th(MoO4)3 is Zircon-derived structured and crystallizes in the monoclinic C2/c space group. K(1) is bonded in a 8-coordinate geometry to one O(2), one O(5), two equivalent O(1), two equivalent O(4), and two equivalent O(6) atoms. Th(1) is bonded in a 8-coordinate geometry to two equivalent O(2), two equivalent O(5), and four equivalent O(3) atoms. There are two inequivalent Mo sites. In the first Mo site, Mo(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 Mo site, Mo(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(1) is bonded in a distorted single-bond geometry to two equivalent K(1) and one Mo(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one K(1), one Th(1), and one Mo(2) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent Th(1) and one Mo(1) atom. In the fourth O site, O(4) is bonded in a 1-coordinate geometry to two equivalent K(1) and one Mo(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one K(1), one Th(1), and one Mo(1) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to two equivalent K(1) and one Mo(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_K2Th(MoO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.965
_cell_length_b   10.965
_cell_length_c   5.466
_cell_angle_alpha   77.671
_cell_angle_beta   77.671
_cell_angle_gamma   68.608
_symmetry_Int_Tables_number   1
_cell_volume   591.059
_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  0.710  0.956  0.412  1.0
  K  K1  1  0.290  0.044  0.588  1.0
  K  K2  1  0.956  0.710  0.912  1.0
  K  K3  1  0.044  0.290  0.088  1.0
  Th  Th4  1  0.628  0.372  0.250  1.0
  Th  Th5  1  0.372  0.628  0.750  1.0
  Mo  Mo6  1  0.764  0.543  0.610  1.0
  Mo  Mo7  1  0.543  0.764  0.110  1.0
  Mo  Mo8  1  0.236  0.457  0.390  1.0
  Mo  Mo9  1  0.457  0.236  0.890  1.0
  Mo  Mo10  1  0.144  0.856  0.250  1.0
  Mo  Mo11  1  0.856  0.144  0.750  1.0
  O  O12  1  0.136  0.012  0.073  1.0
  O  O13  1  0.812  0.268  0.966  1.0
  O  O14  1  0.387  0.470  0.145  1.0
  O  O15  1  0.188  0.732  0.034  1.0
  O  O16  1  0.696  0.746  0.912  1.0
  O  O17  1  0.576  0.209  0.103  1.0
  O  O18  1  0.012  0.136  0.573  1.0
  O  O19  1  0.095  0.500  0.247  1.0
  O  O20  1  0.988  0.864  0.427  1.0
  O  O21  1  0.268  0.812  0.466  1.0
  O  O22  1  0.254  0.304  0.588  1.0
  O  O23  1  0.470  0.387  0.645  1.0
  O  O24  1  0.791  0.424  0.397  1.0
  O  O25  1  0.905  0.500  0.753  1.0
  O  O26  1  0.209  0.576  0.603  1.0
  O  O27  1  0.500  0.095  0.747  1.0
  O  O28  1  0.500  0.905  0.253  1.0
  O  O29  1  0.746  0.696  0.412  1.0
  O  O30  1  0.304  0.254  0.088  1.0
  O  O31  1  0.864  0.988  0.927  1.0
  O  O32  1  0.424  0.791  0.897  1.0
  O  O33  1  0.732  0.188  0.534  1.0
  O  O34  1  0.530  0.613  0.355  1.0
  O  O35  1  0.613  0.530  0.855  1.0
[/CIF]
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The material described by K2Th(MoO4)3 is Zircon-derived structured and crystallizes in the monoclinic C2/c space group. K(1) is bonded in a 8-coordinate geometry to one O(2), one O(5), two equivalent O(1), two equivalent O(4), and two equivalent O(6) atoms. Th(1) is bonded in a 8-coordinate geometry to two equivalent O(2), two equivalent O(5), and four equivalent O(3) atoms. There are two inequivalent Mo sites. In the first Mo site, Mo(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 Mo site, Mo(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(1) is bonded in a distorted single-bond geometry to two equivalent K(1) and one Mo(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one K(1), one Th(1), and one Mo(2) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent Th(1) and one Mo(1) atom. In the fourth O site, O(4) is bonded in a 1-coordinate geometry to two equivalent K(1) and one Mo(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one K(1), one Th(1), and one Mo(1) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to two equivalent K(1) and one Mo(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_K2Th(MoO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.965
_cell_length_b   10.965
_cell_length_c   5.466
_cell_angle_alpha   77.671
_cell_angle_beta   77.671
_cell_angle_gamma   68.608
_symmetry_Int_Tables_number   1
_cell_volume   591.059
_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  0.710  0.956  0.412  1.0
  K  K1  1  0.290  0.044  0.588  1.0
  K  K2  1  0.956  0.710  0.912  1.0
  K  K3  1  0.044  0.290  0.088  1.0
  Th  Th4  1  0.628  0.372  0.250  1.0
  Th  Th5  1  0.372  0.628  0.750  1.0
  Mo  Mo6  1  0.764  0.543  0.610  1.0
  Mo  Mo7  1  0.543  0.764  0.110  1.0
  Mo  Mo8  1  0.236  0.457  0.390  1.0
  Mo  Mo9  1  0.457  0.236  0.890  1.0
  Mo  Mo10  1  0.144  0.856  0.250  1.0
  Mo  Mo11  1  0.856  0.144  0.750  1.0
  O  O12  1  0.136  0.012  0.073  1.0
  O  O13  1  0.812  0.268  0.966  1.0
  O  O14  1  0.387  0.470  0.145  1.0
  O  O15  1  0.188  0.732  0.034  1.0
  O  O16  1  0.696  0.746  0.912  1.0
  O  O17  1  0.576  0.209  0.103  1.0
  O  O18  1  0.012  0.136  0.573  1.0
  O  O19  1  0.095  0.500  0.247  1.0
  O  O20  1  0.988  0.864  0.427  1.0
  O  O21  1  0.268  0.812  0.466  1.0
  O  O22  1  0.254  0.304  0.588  1.0
  O  O23  1  0.470  0.387  0.645  1.0
  O  O24  1  0.791  0.424  0.397  1.0
  O  O25  1  0.905  0.500  0.753  1.0
  O  O26  1  0.209  0.576  0.603  1.0
  O  O27  1  0.500  0.095  0.747  1.0
  O  O28  1  0.500  0.905  0.253  1.0
  O  O29  1  0.746  0.696  0.412  1.0
  O  O30  1  0.304  0.254  0.088  1.0
  O  O31  1  0.864  0.988  0.927  1.0
  O  O32  1  0.424  0.791  0.897  1.0
  O  O33  1  0.732  0.188  0.534  1.0
  O  O34  1  0.530  0.613  0.355  1.0
  O  O35  1  0.613  0.530  0.855  1.0
[/CIF]
.