The material structure described by TlMoO2PO4 crystallizes in the orthorhombic Fddd space group. The structure consists of sixteen 7440-28-0 atoms inside a MoO2PO4 framework. In the MoO2PO4 framework, Mo(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted MoO6 octahedra that share corners with four equivalent P(1)O4 tetrahedra. P(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form PO4 tetrahedra that share corners with four equivalent Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-46°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Mo(1) and one P(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Mo(1) and one P(1) atom. In the third O site, O(3) is bonded in a single-bond geometry to one Mo(1) atom. is represented by the CIF card [CIF]
data_TlMoPO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.252
_cell_length_b   9.732
_cell_length_c   8.477
_cell_angle_alpha   68.126
_cell_angle_beta   61.758
_cell_angle_gamma   50.117
_symmetry_Int_Tables_number   1
_cell_volume   568.751
_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  0.667  0.083  0.083  1.0
  Tl  Tl1  1  0.083  0.667  0.667  1.0
  Tl  Tl2  1  0.333  0.917  0.917  1.0
  Tl  Tl3  1  0.917  0.333  0.333  1.0
  Mo  Mo4  1  0.157  0.593  0.157  1.0
  Mo  Mo5  1  0.593  0.157  0.593  1.0
  Mo  Mo6  1  0.843  0.407  0.843  1.0
  Mo  Mo7  1  0.407  0.843  0.407  1.0
  P  P8  1  0.507  0.507  0.243  1.0
  P  P9  1  0.243  0.243  0.507  1.0
  P  P10  1  0.493  0.493  0.757  1.0
  P  P11  1  0.757  0.757  0.493  1.0
  O  O12  1  0.307  0.602  0.276  1.0
  O  O13  1  0.315  0.276  0.602  1.0
  O  O14  1  0.276  0.315  0.307  1.0
  O  O15  1  0.602  0.307  0.315  1.0
  O  O16  1  0.693  0.398  0.724  1.0
  O  O17  1  0.685  0.724  0.398  1.0
  O  O18  1  0.724  0.685  0.693  1.0
  O  O19  1  0.398  0.693  0.685  1.0
  O  O20  1  0.965  0.669  0.398  1.0
  O  O21  1  0.469  0.398  0.669  1.0
  O  O22  1  0.398  0.469  0.965  1.0
  O  O23  1  0.669  0.965  0.469  1.0
  O  O24  1  0.192  0.910  0.451  1.0
  O  O25  1  0.947  0.451  0.910  1.0
  O  O26  1  0.451  0.947  0.192  1.0
  O  O27  1  0.910  0.192  0.947  1.0
  O  O28  1  0.808  0.090  0.549  1.0
  O  O29  1  0.053  0.549  0.090  1.0
  O  O30  1  0.549  0.053  0.808  1.0
  O  O31  1  0.090  0.808  0.053  1.0
  O  O32  1  0.331  0.035  0.531  1.0
  O  O33  1  0.602  0.531  0.035  1.0
  O  O34  1  0.531  0.602  0.331  1.0
  O  O35  1  0.035  0.331  0.602  1.0
[/CIF]
.
The material structure described by TlMoO2PO4 crystallizes in the orthorhombic Fddd space group. The structure consists of sixteen 7440-28-0 atoms inside a MoO2PO4 framework. In the MoO2PO4 framework, Mo(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted MoO6 octahedra that share corners with four equivalent P(1)O4 tetrahedra. P(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form PO4 tetrahedra that share corners with four equivalent Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-46°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Mo(1) and one P(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Mo(1) and one P(1) atom. In the third O site, O(3) is bonded in a single-bond geometry to one Mo(1) atom. is represented by the CIF card [CIF]
data_TlMoPO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.252
_cell_length_b   9.732
_cell_length_c   8.477
_cell_angle_alpha   68.126
_cell_angle_beta   61.758
_cell_angle_gamma   50.117
_symmetry_Int_Tables_number   1
_cell_volume   568.751
_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  0.667  0.083  0.083  1.0
  Tl  Tl1  1  0.083  0.667  0.667  1.0
  Tl  Tl2  1  0.333  0.917  0.917  1.0
  Tl  Tl3  1  0.917  0.333  0.333  1.0
  Mo  Mo4  1  0.157  0.593  0.157  1.0
  Mo  Mo5  1  0.593  0.157  0.593  1.0
  Mo  Mo6  1  0.843  0.407  0.843  1.0
  Mo  Mo7  1  0.407  0.843  0.407  1.0
  P  P8  1  0.507  0.507  0.243  1.0
  P  P9  1  0.243  0.243  0.507  1.0
  P  P10  1  0.493  0.493  0.757  1.0
  P  P11  1  0.757  0.757  0.493  1.0
  O  O12  1  0.307  0.602  0.276  1.0
  O  O13  1  0.315  0.276  0.602  1.0
  O  O14  1  0.276  0.315  0.307  1.0
  O  O15  1  0.602  0.307  0.315  1.0
  O  O16  1  0.693  0.398  0.724  1.0
  O  O17  1  0.685  0.724  0.398  1.0
  O  O18  1  0.724  0.685  0.693  1.0
  O  O19  1  0.398  0.693  0.685  1.0
  O  O20  1  0.965  0.669  0.398  1.0
  O  O21  1  0.469  0.398  0.669  1.0
  O  O22  1  0.398  0.469  0.965  1.0
  O  O23  1  0.669  0.965  0.469  1.0
  O  O24  1  0.192  0.910  0.451  1.0
  O  O25  1  0.947  0.451  0.910  1.0
  O  O26  1  0.451  0.947  0.192  1.0
  O  O27  1  0.910  0.192  0.947  1.0
  O  O28  1  0.808  0.090  0.549  1.0
  O  O29  1  0.053  0.549  0.090  1.0
  O  O30  1  0.549  0.053  0.808  1.0
  O  O31  1  0.090  0.808  0.053  1.0
  O  O32  1  0.331  0.035  0.531  1.0
  O  O33  1  0.602  0.531  0.035  1.0
  O  O34  1  0.531  0.602  0.331  1.0
  O  O35  1  0.035  0.331  0.602  1.0
[/CIF]
.