The material described by ThSe2O7 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(5), one O(6), one O(7), two equivalent O(3), and two equivalent O(4) atoms. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a trigonal non-coplanar geometry to one O(3), one O(4), and one O(5) atom. In the second Se site, Se(2) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(6), and one O(7) atom. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Th(1) and one Se(2) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Th(1) and one Se(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Th(1) and one Se(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to two equivalent Th(1) and one Se(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Th(1) and one Se(1) atom. In the sixth O site, O(6) is bonded in a distorted bent 120 degrees geometry to one Th(1) and one Se(2) atom. In the seventh O site, O(7) is bonded in a distorted bent 150 degrees geometry to one Th(1) and one Se(2) atom. is represented by the CIF file [CIF]
data_ThSe2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.568
_cell_length_b   7.060
_cell_length_c   9.078
_cell_angle_alpha   76.785
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   597.017
_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  0.460  0.209  0.134  1.0
  Th  Th1  1  0.040  0.209  0.634  1.0
  Th  Th2  1  0.540  0.791  0.866  1.0
  Th  Th3  1  0.960  0.791  0.366  1.0
  Se  Se4  1  0.596  0.672  0.249  1.0
  Se  Se5  1  0.904  0.672  0.749  1.0
  Se  Se6  1  0.181  0.879  0.018  1.0
  Se  Se7  1  0.681  0.121  0.482  1.0
  Se  Se8  1  0.404  0.328  0.751  1.0
  Se  Se9  1  0.319  0.879  0.518  1.0
  Se  Se10  1  0.819  0.121  0.982  1.0
  Se  Se11  1  0.096  0.328  0.251  1.0
  O  O12  1  0.084  0.954  0.866  1.0
  O  O13  1  0.809  0.253  0.525  1.0
  O  O14  1  0.939  0.895  0.626  1.0
  O  O15  1  0.940  0.550  0.609  1.0
  O  O16  1  0.416  0.954  0.366  1.0
  O  O17  1  0.060  0.450  0.391  1.0
  O  O18  1  0.772  0.662  0.254  1.0
  O  O19  1  0.691  0.253  0.025  1.0
  O  O20  1  0.912  0.270  0.852  1.0
  O  O21  1  0.309  0.747  0.975  1.0
  O  O22  1  0.728  0.662  0.754  1.0
  O  O23  1  0.272  0.338  0.246  1.0
  O  O24  1  0.266  0.059  0.593  1.0
  O  O25  1  0.766  0.941  0.907  1.0
  O  O26  1  0.061  0.105  0.374  1.0
  O  O27  1  0.191  0.747  0.475  1.0
  O  O28  1  0.440  0.450  0.891  1.0
  O  O29  1  0.088  0.730  0.148  1.0
  O  O30  1  0.412  0.730  0.648  1.0
  O  O31  1  0.561  0.895  0.126  1.0
  O  O32  1  0.588  0.270  0.352  1.0
  O  O33  1  0.560  0.550  0.109  1.0
  O  O34  1  0.439  0.105  0.874  1.0
  O  O35  1  0.584  0.046  0.634  1.0
  O  O36  1  0.734  0.941  0.407  1.0
  O  O37  1  0.916  0.046  0.134  1.0
  O  O38  1  0.234  0.059  0.093  1.0
  O  O39  1  0.228  0.338  0.746  1.0
[/CIF]
.
The material described by ThSe2O7 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(5), one O(6), one O(7), two equivalent O(3), and two equivalent O(4) atoms. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a trigonal non-coplanar geometry to one O(3), one O(4), and one O(5) atom. In the second Se site, Se(2) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(6), and one O(7) atom. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Th(1) and one Se(2) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Th(1) and one Se(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Th(1) and one Se(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to two equivalent Th(1) and one Se(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Th(1) and one Se(1) atom. In the sixth O site, O(6) is bonded in a distorted bent 120 degrees geometry to one Th(1) and one Se(2) atom. In the seventh O site, O(7) is bonded in a distorted bent 150 degrees geometry to one Th(1) and one Se(2) atom. is represented by the CIF file [CIF]
data_ThSe2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.568
_cell_length_b   7.060
_cell_length_c   9.078
_cell_angle_alpha   76.785
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   597.017
_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  0.460  0.209  0.134  1.0
  Th  Th1  1  0.040  0.209  0.634  1.0
  Th  Th2  1  0.540  0.791  0.866  1.0
  Th  Th3  1  0.960  0.791  0.366  1.0
  Se  Se4  1  0.596  0.672  0.249  1.0
  Se  Se5  1  0.904  0.672  0.749  1.0
  Se  Se6  1  0.181  0.879  0.018  1.0
  Se  Se7  1  0.681  0.121  0.482  1.0
  Se  Se8  1  0.404  0.328  0.751  1.0
  Se  Se9  1  0.319  0.879  0.518  1.0
  Se  Se10  1  0.819  0.121  0.982  1.0
  Se  Se11  1  0.096  0.328  0.251  1.0
  O  O12  1  0.084  0.954  0.866  1.0
  O  O13  1  0.809  0.253  0.525  1.0
  O  O14  1  0.939  0.895  0.626  1.0
  O  O15  1  0.940  0.550  0.609  1.0
  O  O16  1  0.416  0.954  0.366  1.0
  O  O17  1  0.060  0.450  0.391  1.0
  O  O18  1  0.772  0.662  0.254  1.0
  O  O19  1  0.691  0.253  0.025  1.0
  O  O20  1  0.912  0.270  0.852  1.0
  O  O21  1  0.309  0.747  0.975  1.0
  O  O22  1  0.728  0.662  0.754  1.0
  O  O23  1  0.272  0.338  0.246  1.0
  O  O24  1  0.266  0.059  0.593  1.0
  O  O25  1  0.766  0.941  0.907  1.0
  O  O26  1  0.061  0.105  0.374  1.0
  O  O27  1  0.191  0.747  0.475  1.0
  O  O28  1  0.440  0.450  0.891  1.0
  O  O29  1  0.088  0.730  0.148  1.0
  O  O30  1  0.412  0.730  0.648  1.0
  O  O31  1  0.561  0.895  0.126  1.0
  O  O32  1  0.588  0.270  0.352  1.0
  O  O33  1  0.560  0.550  0.109  1.0
  O  O34  1  0.439  0.105  0.874  1.0
  O  O35  1  0.584  0.046  0.634  1.0
  O  O36  1  0.734  0.941  0.407  1.0
  O  O37  1  0.916  0.046  0.134  1.0
  O  O38  1  0.234  0.059  0.093  1.0
  O  O39  1  0.228  0.338  0.746  1.0
[/CIF]
.