The compound 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 water-like geometry to one O(4) and one O(6) atom. In the second Tl site, Tl(2) is bonded in a 3-coordinate geometry to one O(1), one O(6), and one O(7) atom. In the third Tl site, Tl(3) is bonded in a 4-coordinate geometry to one O(2), one O(3), one O(5), and one O(7) atom. In the fourth Tl site, Tl(4) is bonded in a distorted trigonal non-coplanar geometry to one O(3), one O(5), 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(2) and one P(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Tl(3) and one P(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Tl(3), 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) and one P(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Tl(3), one Tl(4), and one P(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Tl(1), one Tl(2), and one P(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Tl(2), one Tl(3), and one P(2) atom. In the eighth O site, O(8) is bonded in a distorted water-like geometry to one Tl(4) and one P(2) atom. is represented by the CIF file [CIF]
data_Tl2PO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.977
_cell_length_b   5.042
_cell_length_c   16.619
_cell_angle_alpha   81.254
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   494.996
_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  0.020  0.391  0.122  1.0
  Tl  Tl1  1  0.980  0.391  0.622  1.0
  Tl  Tl2  1  0.523  0.600  0.995  1.0
  Tl  Tl3  1  0.477  0.600  0.495  1.0
  Tl  Tl4  1  0.561  0.296  0.787  1.0
  Tl  Tl5  1  0.439  0.296  0.287  1.0
  Tl  Tl6  1  0.002  0.783  0.292  1.0
  Tl  Tl7  1  0.998  0.783  0.792  1.0
  P  P8  1  0.575  0.898  0.150  1.0
  P  P9  1  0.425  0.898  0.650  1.0
  P  P10  1  0.847  0.162  0.416  1.0
  P  P11  1  0.153  0.162  0.916  1.0
  O  O12  1  0.367  0.781  0.112  1.0
  O  O13  1  0.633  0.781  0.612  1.0
  O  O14  1  0.560  0.214  0.140  1.0
  O  O15  1  0.440  0.214  0.640  1.0
  O  O16  1  0.582  0.795  0.244  1.0
  O  O17  1  0.418  0.795  0.744  1.0
  O  O18  1  0.795  0.825  0.108  1.0
  O  O19  1  0.205  0.825  0.608  1.0
  O  O20  1  0.850  0.330  0.327  1.0
  O  O21  1  0.150  0.330  0.827  1.0
  O  O22  1  0.857  0.364  0.478  1.0
  O  O23  1  0.143  0.364  0.978  1.0
  O  O24  1  0.615  0.017  0.417  1.0
  O  O25  1  0.385  0.017  0.917  1.0
  O  O26  1  0.045  0.964  0.424  1.0
  O  O27  1  0.955  0.964  0.924  1.0
[/CIF]
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The compound 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 water-like geometry to one O(4) and one O(6) atom. In the second Tl site, Tl(2) is bonded in a 3-coordinate geometry to one O(1), one O(6), and one O(7) atom. In the third Tl site, Tl(3) is bonded in a 4-coordinate geometry to one O(2), one O(3), one O(5), and one O(7) atom. In the fourth Tl site, Tl(4) is bonded in a distorted trigonal non-coplanar geometry to one O(3), one O(5), 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(2) and one P(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Tl(3) and one P(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Tl(3), 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) and one P(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Tl(3), one Tl(4), and one P(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Tl(1), one Tl(2), and one P(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Tl(2), one Tl(3), and one P(2) atom. In the eighth O site, O(8) is bonded in a distorted water-like geometry to one Tl(4) and one P(2) atom. is represented by the CIF file [CIF]
data_Tl2PO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.977
_cell_length_b   5.042
_cell_length_c   16.619
_cell_angle_alpha   81.254
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   494.996
_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  0.020  0.391  0.122  1.0
  Tl  Tl1  1  0.980  0.391  0.622  1.0
  Tl  Tl2  1  0.523  0.600  0.995  1.0
  Tl  Tl3  1  0.477  0.600  0.495  1.0
  Tl  Tl4  1  0.561  0.296  0.787  1.0
  Tl  Tl5  1  0.439  0.296  0.287  1.0
  Tl  Tl6  1  0.002  0.783  0.292  1.0
  Tl  Tl7  1  0.998  0.783  0.792  1.0
  P  P8  1  0.575  0.898  0.150  1.0
  P  P9  1  0.425  0.898  0.650  1.0
  P  P10  1  0.847  0.162  0.416  1.0
  P  P11  1  0.153  0.162  0.916  1.0
  O  O12  1  0.367  0.781  0.112  1.0
  O  O13  1  0.633  0.781  0.612  1.0
  O  O14  1  0.560  0.214  0.140  1.0
  O  O15  1  0.440  0.214  0.640  1.0
  O  O16  1  0.582  0.795  0.244  1.0
  O  O17  1  0.418  0.795  0.744  1.0
  O  O18  1  0.795  0.825  0.108  1.0
  O  O19  1  0.205  0.825  0.608  1.0
  O  O20  1  0.850  0.330  0.327  1.0
  O  O21  1  0.150  0.330  0.827  1.0
  O  O22  1  0.857  0.364  0.478  1.0
  O  O23  1  0.143  0.364  0.978  1.0
  O  O24  1  0.615  0.017  0.417  1.0
  O  O25  1  0.385  0.017  0.917  1.0
  O  O26  1  0.045  0.964  0.424  1.0
  O  O27  1  0.955  0.964  0.924  1.0
[/CIF]
.