The structure described by Tl2MoO4 crystallizes in the monoclinic C2 space group. Mo(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are three inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a 2-coordinate geometry to one O(2) and one O(4) atom. In the second Tl site, Tl(2) is bonded in an L-shaped geometry to two equivalent O(3) atoms. In the third Tl site, Tl(3) is bonded in a distorted rectangular see-saw-like geometry to two equivalent O(1) and two equivalent O(2) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Mo(1) and one Tl(3) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Mo(1), one Tl(1), and one Tl(3) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Mo(1) and one Tl(2) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees 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   6.153
_cell_length_b   6.153
_cell_length_c   8.022
_cell_angle_alpha   88.858
_cell_angle_beta   88.858
_cell_angle_gamma   63.564
_symmetry_Int_Tables_number   1
_cell_volume   271.876
_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  0.661  0.666  0.178  1.0
  Tl  Tl1  1  0.334  0.339  0.822  1.0
  Tl  Tl2  1  0.049  0.951  0.500  1.0
  Tl  Tl3  1  0.998  0.002  0.000  1.0
  Mo  Mo4  1  0.364  0.316  0.308  1.0
  Mo  Mo5  1  0.684  0.636  0.692  1.0
  O  O6  1  0.239  0.598  0.198  1.0
  O  O7  1  0.402  0.761  0.802  1.0
  O  O8  1  0.289  0.104  0.208  1.0
  O  O9  1  0.896  0.711  0.792  1.0
  O  O10  1  0.682  0.213  0.300  1.0
  O  O11  1  0.787  0.318  0.700  1.0
  O  O12  1  0.636  0.752  0.485  1.0
  O  O13  1  0.248  0.364  0.515  1.0
[/CIF]
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The structure described by Tl2MoO4 crystallizes in the monoclinic C2 space group. Mo(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are three inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a 2-coordinate geometry to one O(2) and one O(4) atom. In the second Tl site, Tl(2) is bonded in an L-shaped geometry to two equivalent O(3) atoms. In the third Tl site, Tl(3) is bonded in a distorted rectangular see-saw-like geometry to two equivalent O(1) and two equivalent O(2) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Mo(1) and one Tl(3) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Mo(1), one Tl(1), and one Tl(3) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Mo(1) and one Tl(2) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees 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   6.153
_cell_length_b   6.153
_cell_length_c   8.022
_cell_angle_alpha   88.858
_cell_angle_beta   88.858
_cell_angle_gamma   63.564
_symmetry_Int_Tables_number   1
_cell_volume   271.876
_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  0.661  0.666  0.178  1.0
  Tl  Tl1  1  0.334  0.339  0.822  1.0
  Tl  Tl2  1  0.049  0.951  0.500  1.0
  Tl  Tl3  1  0.998  0.002  0.000  1.0
  Mo  Mo4  1  0.364  0.316  0.308  1.0
  Mo  Mo5  1  0.684  0.636  0.692  1.0
  O  O6  1  0.239  0.598  0.198  1.0
  O  O7  1  0.402  0.761  0.802  1.0
  O  O8  1  0.289  0.104  0.208  1.0
  O  O9  1  0.896  0.711  0.792  1.0
  O  O10  1  0.682  0.213  0.300  1.0
  O  O11  1  0.787  0.318  0.700  1.0
  O  O12  1  0.636  0.752  0.485  1.0
  O  O13  1  0.248  0.364  0.515  1.0
[/CIF]
.