The compound described by ThMo2O9 crystallizes in the monoclinic P2_1/c space group. Th(1) is bonded in a 9-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), one O(6), one O(7), one O(8), and one O(9) atom. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a tetrahedral geometry to one O(4), one O(5), one O(6), and one O(9) atom. In the second Mo site, Mo(2) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(8) atom. There are nine inequivalent O sites. In the first O site, O(6) is bonded in a distorted linear geometry to one Th(1) and one Mo(1) atom. In the second O site, O(7) is bonded in a single-bond geometry to one Th(1) atom. In the third O site, O(8) is bonded in a distorted linear geometry to one Th(1) and one Mo(2) atom. In the fourth O site, O(1) is bonded in a bent 150 degrees geometry to one Th(1) and one Mo(2) atom. In the fifth O site, O(9) is bonded in a distorted bent 150 degrees geometry to one Th(1) and one Mo(1) atom. In the sixth O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Th(1) and one Mo(2) atom. In the seventh O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Th(1) and one Mo(2) atom. In the eighth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Th(1) and one Mo(1) atom. In the ninth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one Th(1) and one Mo(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_ThMo2O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.685
_cell_length_b   7.410
_cell_length_c   9.808
_cell_angle_alpha   86.650
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   775.195
_cell_formula_units_Z   4
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  0.540  0.273  0.239  1.0
  Th  Th1  1  0.040  0.727  0.261  1.0
  Th  Th2  1  0.460  0.727  0.761  1.0
  Th  Th3  1  0.960  0.273  0.739  1.0
  Mo  Mo4  1  0.232  0.379  0.001  1.0
  Mo  Mo5  1  0.732  0.621  0.499  1.0
  Mo  Mo6  1  0.768  0.621  0.999  1.0
  Mo  Mo7  1  0.268  0.379  0.501  1.0
  Mo  Mo8  1  0.597  0.206  0.821  1.0
  Mo  Mo9  1  0.097  0.794  0.679  1.0
  Mo  Mo10  1  0.403  0.794  0.179  1.0
  Mo  Mo11  1  0.903  0.206  0.321  1.0
  O  O12  1  0.561  0.432  0.756  1.0
  O  O13  1  0.061  0.568  0.744  1.0
  O  O14  1  0.439  0.568  0.244  1.0
  O  O15  1  0.939  0.432  0.256  1.0
  O  O16  1  0.486  0.049  0.759  1.0
  O  O17  1  0.986  0.951  0.741  1.0
  O  O18  1  0.514  0.951  0.241  1.0
  O  O19  1  0.014  0.049  0.259  1.0
  O  O20  1  0.752  0.151  0.763  1.0
  O  O21  1  0.252  0.849  0.737  1.0
  O  O22  1  0.248  0.849  0.237  1.0
  O  O23  1  0.748  0.151  0.263  1.0
  O  O24  1  0.117  0.243  0.920  1.0
  O  O25  1  0.617  0.757  0.580  1.0
  O  O26  1  0.883  0.757  0.080  1.0
  O  O27  1  0.383  0.243  0.420  1.0
  O  O28  1  0.330  0.488  0.875  1.0
  O  O29  1  0.830  0.512  0.625  1.0
  O  O30  1  0.670  0.512  0.125  1.0
  O  O31  1  0.170  0.488  0.375  1.0
  O  O32  1  0.155  0.555  0.092  1.0
  O  O33  1  0.655  0.445  0.408  1.0
  O  O34  1  0.845  0.445  0.908  1.0
  O  O35  1  0.345  0.555  0.592  1.0
  O  O36  1  0.613  0.137  0.460  1.0
  O  O37  1  0.113  0.863  0.040  1.0
  O  O38  1  0.387  0.863  0.540  1.0
  O  O39  1  0.887  0.137  0.960  1.0
  O  O40  1  0.588  0.200  0.003  1.0
  O  O41  1  0.088  0.800  0.497  1.0
  O  O42  1  0.412  0.800  0.997  1.0
  O  O43  1  0.912  0.200  0.503  1.0
  O  O44  1  0.336  0.250  0.113  1.0
  O  O45  1  0.836  0.750  0.387  1.0
  O  O46  1  0.664  0.750  0.887  1.0
  O  O47  1  0.164  0.250  0.613  1.0
[/CIF]
.
The compound described by ThMo2O9 crystallizes in the monoclinic P2_1/c space group. Th(1) is bonded in a 9-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), one O(6), one O(7), one O(8), and one O(9) atom. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a tetrahedral geometry to one O(4), one O(5), one O(6), and one O(9) atom. In the second Mo site, Mo(2) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(8) atom. There are nine inequivalent O sites. In the first O site, O(6) is bonded in a distorted linear geometry to one Th(1) and one Mo(1) atom. In the second O site, O(7) is bonded in a single-bond geometry to one Th(1) atom. In the third O site, O(8) is bonded in a distorted linear geometry to one Th(1) and one Mo(2) atom. In the fourth O site, O(1) is bonded in a bent 150 degrees geometry to one Th(1) and one Mo(2) atom. In the fifth O site, O(9) is bonded in a distorted bent 150 degrees geometry to one Th(1) and one Mo(1) atom. In the sixth O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Th(1) and one Mo(2) atom. In the seventh O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Th(1) and one Mo(2) atom. In the eighth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Th(1) and one Mo(1) atom. In the ninth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one Th(1) and one Mo(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_ThMo2O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.685
_cell_length_b   7.410
_cell_length_c   9.808
_cell_angle_alpha   86.650
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   775.195
_cell_formula_units_Z   4
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  0.540  0.273  0.239  1.0
  Th  Th1  1  0.040  0.727  0.261  1.0
  Th  Th2  1  0.460  0.727  0.761  1.0
  Th  Th3  1  0.960  0.273  0.739  1.0
  Mo  Mo4  1  0.232  0.379  0.001  1.0
  Mo  Mo5  1  0.732  0.621  0.499  1.0
  Mo  Mo6  1  0.768  0.621  0.999  1.0
  Mo  Mo7  1  0.268  0.379  0.501  1.0
  Mo  Mo8  1  0.597  0.206  0.821  1.0
  Mo  Mo9  1  0.097  0.794  0.679  1.0
  Mo  Mo10  1  0.403  0.794  0.179  1.0
  Mo  Mo11  1  0.903  0.206  0.321  1.0
  O  O12  1  0.561  0.432  0.756  1.0
  O  O13  1  0.061  0.568  0.744  1.0
  O  O14  1  0.439  0.568  0.244  1.0
  O  O15  1  0.939  0.432  0.256  1.0
  O  O16  1  0.486  0.049  0.759  1.0
  O  O17  1  0.986  0.951  0.741  1.0
  O  O18  1  0.514  0.951  0.241  1.0
  O  O19  1  0.014  0.049  0.259  1.0
  O  O20  1  0.752  0.151  0.763  1.0
  O  O21  1  0.252  0.849  0.737  1.0
  O  O22  1  0.248  0.849  0.237  1.0
  O  O23  1  0.748  0.151  0.263  1.0
  O  O24  1  0.117  0.243  0.920  1.0
  O  O25  1  0.617  0.757  0.580  1.0
  O  O26  1  0.883  0.757  0.080  1.0
  O  O27  1  0.383  0.243  0.420  1.0
  O  O28  1  0.330  0.488  0.875  1.0
  O  O29  1  0.830  0.512  0.625  1.0
  O  O30  1  0.670  0.512  0.125  1.0
  O  O31  1  0.170  0.488  0.375  1.0
  O  O32  1  0.155  0.555  0.092  1.0
  O  O33  1  0.655  0.445  0.408  1.0
  O  O34  1  0.845  0.445  0.908  1.0
  O  O35  1  0.345  0.555  0.592  1.0
  O  O36  1  0.613  0.137  0.460  1.0
  O  O37  1  0.113  0.863  0.040  1.0
  O  O38  1  0.387  0.863  0.540  1.0
  O  O39  1  0.887  0.137  0.960  1.0
  O  O40  1  0.588  0.200  0.003  1.0
  O  O41  1  0.088  0.800  0.497  1.0
  O  O42  1  0.412  0.800  0.997  1.0
  O  O43  1  0.912  0.200  0.503  1.0
  O  O44  1  0.336  0.250  0.113  1.0
  O  O45  1  0.836  0.750  0.387  1.0
  O  O46  1  0.664  0.750  0.887  1.0
  O  O47  1  0.164  0.250  0.613  1.0
[/CIF]
.