The crystal structure described by Tl2PO4 crystallizes in the monoclinic Pc space group. There are four inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a distorted trigonal non-coplanar geometry to one O(1), one O(4), and one O(6) atom. In the second Tl site, Tl(2) is bonded in a distorted T-shaped geometry to one O(1), one O(2), and one O(4) atom. In the third Tl site, Tl(3) is bonded in a single-bond geometry to one O(2) atom. In the fourth Tl site, Tl(4) is bonded in a rectangular see-saw-like geometry to one O(3), one O(5), one O(7), and one O(8) atom. There are two inequivalent P sites. In the first P site, P(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. In the second P site, P(2) is bonded in a tetrahedral geometry to one O(5), one O(6), one O(7), and one O(8) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Tl(1), one Tl(2), and one P(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Tl(2), one Tl(3), and one P(1) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Tl(4) and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Tl(1), one Tl(2), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Tl(4) and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one Tl(1) and one P(2) atom. In the seventh O site, O(7) is bonded in an L-shaped geometry to one Tl(4) and one P(2) atom. In the eighth O site, O(8) is bonded in an L-shaped geometry to one Tl(4) and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Tl2PO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.393
_cell_length_b   5.505
_cell_length_c   17.383
_cell_angle_alpha   78.958
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   600.395
_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  0.074  0.166  0.110  1.0
  Tl  Tl1  1  0.926  0.166  0.610  1.0
  Tl  Tl2  1  0.580  0.613  0.026  1.0
  Tl  Tl3  1  0.420  0.613  0.526  1.0
  Tl  Tl4  1  0.600  0.378  0.759  1.0
  Tl  Tl5  1  0.400  0.378  0.259  1.0
  Tl  Tl6  1  0.848  0.740  0.339  1.0
  Tl  Tl7  1  0.152  0.740  0.839  1.0
  P  P8  1  0.590  0.936  0.162  1.0
  P  P9  1  0.410  0.936  0.662  1.0
  P  P10  1  0.911  0.174  0.396  1.0
  P  P11  1  0.089  0.174  0.896  1.0
  O  O12  1  0.390  0.814  0.135  1.0
  O  O13  1  0.610  0.814  0.635  1.0
  O  O14  1  0.577  0.223  0.144  1.0
  O  O15  1  0.423  0.223  0.644  1.0
  O  O16  1  0.595  0.851  0.255  1.0
  O  O17  1  0.405  0.851  0.755  1.0
  O  O18  1  0.786  0.841  0.124  1.0
  O  O19  1  0.214  0.841  0.624  1.0
  O  O20  1  0.823  0.370  0.322  1.0
  O  O21  1  0.177  0.370  0.822  1.0
  O  O22  1  0.992  0.319  0.456  1.0
  O  O23  1  0.008  0.319  0.956  1.0
  O  O24  1  0.732  0.982  0.424  1.0
  O  O25  1  0.268  0.982  0.924  1.0
  O  O26  1  0.082  0.016  0.360  1.0
  O  O27  1  0.918  0.016  0.860  1.0
[/CIF]
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The crystal structure described by Tl2PO4 crystallizes in the monoclinic Pc space group. There are four inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a distorted trigonal non-coplanar geometry to one O(1), one O(4), and one O(6) atom. In the second Tl site, Tl(2) is bonded in a distorted T-shaped geometry to one O(1), one O(2), and one O(4) atom. In the third Tl site, Tl(3) is bonded in a single-bond geometry to one O(2) atom. In the fourth Tl site, Tl(4) is bonded in a rectangular see-saw-like geometry to one O(3), one O(5), one O(7), and one O(8) atom. There are two inequivalent P sites. In the first P site, P(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. In the second P site, P(2) is bonded in a tetrahedral geometry to one O(5), one O(6), one O(7), and one O(8) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Tl(1), one Tl(2), and one P(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Tl(2), one Tl(3), and one P(1) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Tl(4) and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Tl(1), one Tl(2), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Tl(4) and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one Tl(1) and one P(2) atom. In the seventh O site, O(7) is bonded in an L-shaped geometry to one Tl(4) and one P(2) atom. In the eighth O site, O(8) is bonded in an L-shaped geometry to one Tl(4) and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Tl2PO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.393
_cell_length_b   5.505
_cell_length_c   17.383
_cell_angle_alpha   78.958
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   600.395
_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  0.074  0.166  0.110  1.0
  Tl  Tl1  1  0.926  0.166  0.610  1.0
  Tl  Tl2  1  0.580  0.613  0.026  1.0
  Tl  Tl3  1  0.420  0.613  0.526  1.0
  Tl  Tl4  1  0.600  0.378  0.759  1.0
  Tl  Tl5  1  0.400  0.378  0.259  1.0
  Tl  Tl6  1  0.848  0.740  0.339  1.0
  Tl  Tl7  1  0.152  0.740  0.839  1.0
  P  P8  1  0.590  0.936  0.162  1.0
  P  P9  1  0.410  0.936  0.662  1.0
  P  P10  1  0.911  0.174  0.396  1.0
  P  P11  1  0.089  0.174  0.896  1.0
  O  O12  1  0.390  0.814  0.135  1.0
  O  O13  1  0.610  0.814  0.635  1.0
  O  O14  1  0.577  0.223  0.144  1.0
  O  O15  1  0.423  0.223  0.644  1.0
  O  O16  1  0.595  0.851  0.255  1.0
  O  O17  1  0.405  0.851  0.755  1.0
  O  O18  1  0.786  0.841  0.124  1.0
  O  O19  1  0.214  0.841  0.624  1.0
  O  O20  1  0.823  0.370  0.322  1.0
  O  O21  1  0.177  0.370  0.822  1.0
  O  O22  1  0.992  0.319  0.456  1.0
  O  O23  1  0.008  0.319  0.956  1.0
  O  O24  1  0.732  0.982  0.424  1.0
  O  O25  1  0.268  0.982  0.924  1.0
  O  O26  1  0.082  0.016  0.360  1.0
  O  O27  1  0.918  0.016  0.860  1.0
[/CIF]
.