The structure described by Tl2MoO4 crystallizes in the trigonal P-3m1 space group. Mo(1) is bonded in a tetrahedral geometry to one O(2) and three equivalent O(1) atoms. There are three inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a single-bond geometry to one O(2) atom. In the second Tl site, Tl(2) is bonded in a 6-coordinate geometry to six equivalent O(1) atoms. In the third Tl site, Tl(3) is bonded in a 6-coordinate geometry to six equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Mo(1), one Tl(2), and one Tl(3) atom. In the second O site, O(2) is bonded in a linear geometry to one Mo(1) and one Tl(1) atom. is represented by the CIF file [CIF]
data_Tl2MoO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.182
_cell_length_b   6.182
_cell_length_c   8.310
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   275.036
_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
  Tl  Tl0  1  0.333  0.667  0.820  1.0
  Tl  Tl1  1  1.000  1.000  1.000  1.0
  Tl  Tl2  1  0.667  0.333  0.180  1.0
  Tl  Tl3  1  1.000  1.000  0.500  1.0
  Mo  Mo4  1  0.667  0.333  0.683  1.0
  Mo  Mo5  1  0.333  0.667  0.317  1.0
  O  O6  1  0.178  0.357  0.243  1.0
  O  O7  1  0.667  0.333  0.470  1.0
  O  O8  1  0.822  0.178  0.757  1.0
  O  O9  1  0.822  0.643  0.757  1.0
  O  O10  1  0.643  0.822  0.243  1.0
  O  O11  1  0.357  0.178  0.757  1.0
  O  O12  1  0.178  0.822  0.243  1.0
  O  O13  1  0.333  0.667  0.530  1.0
[/CIF]
.
The structure described by Tl2MoO4 crystallizes in the trigonal P-3m1 space group. Mo(1) is bonded in a tetrahedral geometry to one O(2) and three equivalent O(1) atoms. There are three inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a single-bond geometry to one O(2) atom. In the second Tl site, Tl(2) is bonded in a 6-coordinate geometry to six equivalent O(1) atoms. In the third Tl site, Tl(3) is bonded in a 6-coordinate geometry to six equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Mo(1), one Tl(2), and one Tl(3) atom. In the second O site, O(2) is bonded in a linear geometry to one Mo(1) and one Tl(1) atom. is represented by the CIF file [CIF]
data_Tl2MoO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.182
_cell_length_b   6.182
_cell_length_c   8.310
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   275.036
_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
  Tl  Tl0  1  0.333  0.667  0.820  1.0
  Tl  Tl1  1  1.000  1.000  1.000  1.0
  Tl  Tl2  1  0.667  0.333  0.180  1.0
  Tl  Tl3  1  1.000  1.000  0.500  1.0
  Mo  Mo4  1  0.667  0.333  0.683  1.0
  Mo  Mo5  1  0.333  0.667  0.317  1.0
  O  O6  1  0.178  0.357  0.243  1.0
  O  O7  1  0.667  0.333  0.470  1.0
  O  O8  1  0.822  0.178  0.757  1.0
  O  O9  1  0.822  0.643  0.757  1.0
  O  O10  1  0.643  0.822  0.243  1.0
  O  O11  1  0.357  0.178  0.757  1.0
  O  O12  1  0.178  0.822  0.243  1.0
  O  O13  1  0.333  0.667  0.530  1.0
[/CIF]
.