The structure described by ThV2SeO9 crystallizes in the orthorhombic Pbcm space group. Th(1) is bonded in a 9-coordinate geometry to one O(2), one O(6), one O(7), two equivalent O(3), and four equivalent O(1) atoms. There are two inequivalent V sites. In the first V site, V(1) is bonded in a 5-coordinate geometry to one O(5), two equivalent O(3), and two equivalent O(4) atoms. In the second V site, V(2) is bonded in a 5-coordinate geometry to one O(4), one O(6), one O(7), and two equivalent O(5) atoms. Se(1) is bonded in a trigonal non-coplanar geometry to one O(2) and two equivalent O(1) atoms. There are seven inequivalent O sites. In the first O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one V(2) and two equivalent V(1) atoms. In the second O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one V(1) and two equivalent V(2) atoms. In the third O site, O(6) is bonded in a distorted linear geometry to one Th(1) and one V(2) atom. In the fourth O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Th(1) and one Se(1) atom. In the fifth O site, O(7) is bonded in a distorted bent 150 degrees geometry to one Th(1) and one V(2) atom. In the sixth O site, O(2) is bonded in a linear geometry to one Th(1) and one Se(1) atom. In the seventh O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Th(1) and one V(1) atom. is represented by the CIF card [CIF]
data_ThV2SeO9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.939
_cell_length_b   7.251
_cell_length_c   14.714
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   740.356
_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  0.855  0.250  0.954  1.0
  Th  Th1  1  0.145  0.750  0.046  1.0
  Th  Th2  1  0.855  0.750  0.546  1.0
  Th  Th3  1  0.145  0.250  0.454  1.0
  V  V4  1  0.438  0.000  0.250  1.0
  V  V5  1  0.562  0.500  0.750  1.0
  V  V6  1  0.562  0.000  0.750  1.0
  V  V7  1  0.438  0.500  0.250  1.0
  V  V8  1  0.802  0.250  0.230  1.0
  V  V9  1  0.198  0.750  0.770  1.0
  V  V10  1  0.802  0.750  0.270  1.0
  V  V11  1  0.198  0.250  0.730  1.0
  Se  Se12  1  0.308  0.250  0.044  1.0
  Se  Se13  1  0.692  0.750  0.956  1.0
  Se  Se14  1  0.308  0.750  0.456  1.0
  Se  Se15  1  0.692  0.250  0.544  1.0
  O  O16  1  0.172  0.075  0.990  1.0
  O  O17  1  0.828  0.575  0.010  1.0
  O  O18  1  0.172  0.925  0.510  1.0
  O  O19  1  0.828  0.425  0.490  1.0
  O  O20  1  0.828  0.925  0.010  1.0
  O  O21  1  0.172  0.425  0.990  1.0
  O  O22  1  0.828  0.075  0.490  1.0
  O  O23  1  0.172  0.575  0.510  1.0
  O  O24  1  0.523  0.250  0.987  1.0
  O  O25  1  0.477  0.750  0.013  1.0
  O  O26  1  0.523  0.750  0.513  1.0
  O  O27  1  0.477  0.250  0.487  1.0
  O  O28  1  0.300  0.951  0.159  1.0
  O  O29  1  0.700  0.451  0.841  1.0
  O  O30  1  0.300  0.049  0.341  1.0
  O  O31  1  0.700  0.549  0.659  1.0
  O  O32  1  0.700  0.049  0.841  1.0
  O  O33  1  0.300  0.549  0.159  1.0
  O  O34  1  0.700  0.951  0.659  1.0
  O  O35  1  0.300  0.451  0.341  1.0
  O  O36  1  0.512  0.750  0.279  1.0
  O  O37  1  0.488  0.250  0.721  1.0
  O  O38  1  0.512  0.250  0.221  1.0
  O  O39  1  0.488  0.750  0.779  1.0
  O  O40  1  0.721  0.000  0.250  1.0
  O  O41  1  0.279  0.500  0.750  1.0
  O  O42  1  0.279  0.000  0.750  1.0
  O  O43  1  0.721  0.500  0.250  1.0
  O  O44  1  0.972  0.250  0.312  1.0
  O  O45  1  0.028  0.750  0.688  1.0
  O  O46  1  0.972  0.750  0.188  1.0
  O  O47  1  0.028  0.250  0.812  1.0
  O  O48  1  0.899  0.250  0.125  1.0
  O  O49  1  0.101  0.750  0.875  1.0
  O  O50  1  0.899  0.750  0.375  1.0
  O  O51  1  0.101  0.250  0.625  1.0
[/CIF]
.
The structure described by ThV2SeO9 crystallizes in the orthorhombic Pbcm space group. Th(1) is bonded in a 9-coordinate geometry to one O(2), one O(6), one O(7), two equivalent O(3), and four equivalent O(1) atoms. There are two inequivalent V sites. In the first V site, V(1) is bonded in a 5-coordinate geometry to one O(5), two equivalent O(3), and two equivalent O(4) atoms. In the second V site, V(2) is bonded in a 5-coordinate geometry to one O(4), one O(6), one O(7), and two equivalent O(5) atoms. Se(1) is bonded in a trigonal non-coplanar geometry to one O(2) and two equivalent O(1) atoms. There are seven inequivalent O sites. In the first O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one V(2) and two equivalent V(1) atoms. In the second O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one V(1) and two equivalent V(2) atoms. In the third O site, O(6) is bonded in a distorted linear geometry to one Th(1) and one V(2) atom. In the fourth O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Th(1) and one Se(1) atom. In the fifth O site, O(7) is bonded in a distorted bent 150 degrees geometry to one Th(1) and one V(2) atom. In the sixth O site, O(2) is bonded in a linear geometry to one Th(1) and one Se(1) atom. In the seventh O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Th(1) and one V(1) atom. is represented by the CIF card [CIF]
data_ThV2SeO9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.939
_cell_length_b   7.251
_cell_length_c   14.714
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   740.356
_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  0.855  0.250  0.954  1.0
  Th  Th1  1  0.145  0.750  0.046  1.0
  Th  Th2  1  0.855  0.750  0.546  1.0
  Th  Th3  1  0.145  0.250  0.454  1.0
  V  V4  1  0.438  0.000  0.250  1.0
  V  V5  1  0.562  0.500  0.750  1.0
  V  V6  1  0.562  0.000  0.750  1.0
  V  V7  1  0.438  0.500  0.250  1.0
  V  V8  1  0.802  0.250  0.230  1.0
  V  V9  1  0.198  0.750  0.770  1.0
  V  V10  1  0.802  0.750  0.270  1.0
  V  V11  1  0.198  0.250  0.730  1.0
  Se  Se12  1  0.308  0.250  0.044  1.0
  Se  Se13  1  0.692  0.750  0.956  1.0
  Se  Se14  1  0.308  0.750  0.456  1.0
  Se  Se15  1  0.692  0.250  0.544  1.0
  O  O16  1  0.172  0.075  0.990  1.0
  O  O17  1  0.828  0.575  0.010  1.0
  O  O18  1  0.172  0.925  0.510  1.0
  O  O19  1  0.828  0.425  0.490  1.0
  O  O20  1  0.828  0.925  0.010  1.0
  O  O21  1  0.172  0.425  0.990  1.0
  O  O22  1  0.828  0.075  0.490  1.0
  O  O23  1  0.172  0.575  0.510  1.0
  O  O24  1  0.523  0.250  0.987  1.0
  O  O25  1  0.477  0.750  0.013  1.0
  O  O26  1  0.523  0.750  0.513  1.0
  O  O27  1  0.477  0.250  0.487  1.0
  O  O28  1  0.300  0.951  0.159  1.0
  O  O29  1  0.700  0.451  0.841  1.0
  O  O30  1  0.300  0.049  0.341  1.0
  O  O31  1  0.700  0.549  0.659  1.0
  O  O32  1  0.700  0.049  0.841  1.0
  O  O33  1  0.300  0.549  0.159  1.0
  O  O34  1  0.700  0.951  0.659  1.0
  O  O35  1  0.300  0.451  0.341  1.0
  O  O36  1  0.512  0.750  0.279  1.0
  O  O37  1  0.488  0.250  0.721  1.0
  O  O38  1  0.512  0.250  0.221  1.0
  O  O39  1  0.488  0.750  0.779  1.0
  O  O40  1  0.721  0.000  0.250  1.0
  O  O41  1  0.279  0.500  0.750  1.0
  O  O42  1  0.279  0.000  0.750  1.0
  O  O43  1  0.721  0.500  0.250  1.0
  O  O44  1  0.972  0.250  0.312  1.0
  O  O45  1  0.028  0.750  0.688  1.0
  O  O46  1  0.972  0.750  0.188  1.0
  O  O47  1  0.028  0.250  0.812  1.0
  O  O48  1  0.899  0.250  0.125  1.0
  O  O49  1  0.101  0.750  0.875  1.0
  O  O50  1  0.899  0.750  0.375  1.0
  O  O51  1  0.101  0.250  0.625  1.0
[/CIF]
.