The crystal structure described by Tl2SeO4 crystallizes in the orthorhombic P2_12_12_1 space group. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a 1-coordinate geometry to one O(2) atom. In the second Tl site, Tl(2) is bonded in a 3-coordinate geometry to one O(1), one O(2), and one O(3) atom. Se(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Tl(2) and one Se(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Tl(1), one Tl(2), and one Se(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Tl(2) and one Se(1) atom. In the fourth O site, O(4) is bonded in a single-bond geometry to one Se(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Tl2SeO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.297
_cell_length_b   7.878
_cell_length_c   10.661
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   528.897
_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
  Tl  Tl0  1  0.475  0.745  0.285  1.0
  Tl  Tl1  1  0.975  0.755  0.715  1.0
  Tl  Tl2  1  0.975  0.922  0.081  1.0
  Tl  Tl3  1  0.025  0.255  0.785  1.0
  Tl  Tl4  1  0.525  0.078  0.581  1.0
  Tl  Tl5  1  0.525  0.245  0.215  1.0
  Tl  Tl6  1  0.025  0.422  0.419  1.0
  Tl  Tl7  1  0.475  0.578  0.919  1.0
  Se  Se8  1  0.989  0.455  0.083  1.0
  Se  Se9  1  0.489  0.045  0.917  1.0
  Se  Se10  1  0.011  0.955  0.417  1.0
  Se  Se11  1  0.511  0.545  0.583  1.0
  O  O12  1  0.426  0.245  0.946  1.0
  O  O13  1  0.302  0.531  0.678  1.0
  O  O14  1  0.453  0.448  0.449  1.0
  O  O15  1  0.698  0.031  0.822  1.0
  O  O16  1  0.216  0.050  0.349  1.0
  O  O17  1  0.047  0.552  0.949  1.0
  O  O18  1  0.074  0.755  0.446  1.0
  O  O19  1  0.547  0.948  0.051  1.0
  O  O20  1  0.198  0.469  0.178  1.0
  O  O21  1  0.802  0.969  0.322  1.0
  O  O22  1  0.284  0.950  0.849  1.0
  O  O23  1  0.926  0.255  0.054  1.0
  O  O24  1  0.716  0.450  0.651  1.0
  O  O25  1  0.574  0.745  0.554  1.0
  O  O26  1  0.953  0.052  0.551  1.0
  O  O27  1  0.784  0.550  0.151  1.0
[/CIF]
.
The crystal structure described by Tl2SeO4 crystallizes in the orthorhombic P2_12_12_1 space group. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a 1-coordinate geometry to one O(2) atom. In the second Tl site, Tl(2) is bonded in a 3-coordinate geometry to one O(1), one O(2), and one O(3) atom. Se(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Tl(2) and one Se(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Tl(1), one Tl(2), and one Se(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Tl(2) and one Se(1) atom. In the fourth O site, O(4) is bonded in a single-bond geometry to one Se(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Tl2SeO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.297
_cell_length_b   7.878
_cell_length_c   10.661
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   528.897
_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
  Tl  Tl0  1  0.475  0.745  0.285  1.0
  Tl  Tl1  1  0.975  0.755  0.715  1.0
  Tl  Tl2  1  0.975  0.922  0.081  1.0
  Tl  Tl3  1  0.025  0.255  0.785  1.0
  Tl  Tl4  1  0.525  0.078  0.581  1.0
  Tl  Tl5  1  0.525  0.245  0.215  1.0
  Tl  Tl6  1  0.025  0.422  0.419  1.0
  Tl  Tl7  1  0.475  0.578  0.919  1.0
  Se  Se8  1  0.989  0.455  0.083  1.0
  Se  Se9  1  0.489  0.045  0.917  1.0
  Se  Se10  1  0.011  0.955  0.417  1.0
  Se  Se11  1  0.511  0.545  0.583  1.0
  O  O12  1  0.426  0.245  0.946  1.0
  O  O13  1  0.302  0.531  0.678  1.0
  O  O14  1  0.453  0.448  0.449  1.0
  O  O15  1  0.698  0.031  0.822  1.0
  O  O16  1  0.216  0.050  0.349  1.0
  O  O17  1  0.047  0.552  0.949  1.0
  O  O18  1  0.074  0.755  0.446  1.0
  O  O19  1  0.547  0.948  0.051  1.0
  O  O20  1  0.198  0.469  0.178  1.0
  O  O21  1  0.802  0.969  0.322  1.0
  O  O22  1  0.284  0.950  0.849  1.0
  O  O23  1  0.926  0.255  0.054  1.0
  O  O24  1  0.716  0.450  0.651  1.0
  O  O25  1  0.574  0.745  0.554  1.0
  O  O26  1  0.953  0.052  0.551  1.0
  O  O27  1  0.784  0.550  0.151  1.0
[/CIF]
.