The material structure described by CuTlPO4 crystallizes in the monoclinic C2/c space group. Cu(1) is bonded in a square co-planar geometry to one O(3), one O(4), and two equivalent O(1) atoms. Tl(1) is bonded in a 3-coordinate geometry to one O(3) and two equivalent O(2) atoms. P(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are four inequivalent O sites. In the first O site, O(3) is bonded in a 3-coordinate geometry to one Cu(1), one Tl(1), and one P(1) atom. In the second O site, O(4) is bonded in a bent 120 degrees geometry to one Cu(1) and one P(1) atom. In the third O site, O(1) is bonded in a trigonal planar geometry to two equivalent Cu(1) and one P(1) atom. In the fourth O site, O(2) is bonded in a distorted single-bond geometry to two equivalent Tl(1) and one P(1) atom. is represented by the CIF file [CIF]
data_TlCuPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.932
_cell_length_b   4.932
_cell_length_c   18.265
_cell_angle_alpha   86.677
_cell_angle_beta   86.677
_cell_angle_gamma   90.079
_symmetry_Int_Tables_number   1
_cell_volume   442.859
_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  0.208  0.794  0.562  1.0
  Tl  Tl1  1  0.206  0.792  0.938  1.0
  Tl  Tl2  1  0.792  0.206  0.438  1.0
  Tl  Tl3  1  0.794  0.208  0.062  1.0
  Cu  Cu4  1  0.674  0.830  0.749  1.0
  Cu  Cu5  1  0.170  0.326  0.751  1.0
  Cu  Cu6  1  0.326  0.170  0.251  1.0
  Cu  Cu7  1  0.830  0.674  0.249  1.0
  P  P8  1  0.703  0.359  0.647  1.0
  P  P9  1  0.641  0.297  0.853  1.0
  P  P10  1  0.297  0.641  0.353  1.0
  P  P11  1  0.359  0.703  0.147  1.0
  O  O12  1  0.867  0.522  0.704  1.0
  O  O13  1  0.478  0.133  0.796  1.0
  O  O14  1  0.133  0.478  0.296  1.0
  O  O15  1  0.522  0.867  0.204  1.0
  O  O16  1  0.210  0.541  0.432  1.0
  O  O17  1  0.459  0.790  0.068  1.0
  O  O18  1  0.790  0.459  0.568  1.0
  O  O19  1  0.541  0.210  0.932  1.0
  O  O20  1  0.395  0.423  0.662  1.0
  O  O21  1  0.577  0.605  0.838  1.0
  O  O22  1  0.605  0.577  0.338  1.0
  O  O23  1  0.423  0.395  0.162  1.0
  O  O24  1  0.768  0.053  0.661  1.0
  O  O25  1  0.947  0.232  0.839  1.0
  O  O26  1  0.232  0.947  0.339  1.0
  O  O27  1  0.053  0.768  0.161  1.0
[/CIF]
.
The material structure described by CuTlPO4 crystallizes in the monoclinic C2/c space group. Cu(1) is bonded in a square co-planar geometry to one O(3), one O(4), and two equivalent O(1) atoms. Tl(1) is bonded in a 3-coordinate geometry to one O(3) and two equivalent O(2) atoms. P(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are four inequivalent O sites. In the first O site, O(3) is bonded in a 3-coordinate geometry to one Cu(1), one Tl(1), and one P(1) atom. In the second O site, O(4) is bonded in a bent 120 degrees geometry to one Cu(1) and one P(1) atom. In the third O site, O(1) is bonded in a trigonal planar geometry to two equivalent Cu(1) and one P(1) atom. In the fourth O site, O(2) is bonded in a distorted single-bond geometry to two equivalent Tl(1) and one P(1) atom. is represented by the CIF file [CIF]
data_TlCuPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.932
_cell_length_b   4.932
_cell_length_c   18.265
_cell_angle_alpha   86.677
_cell_angle_beta   86.677
_cell_angle_gamma   90.079
_symmetry_Int_Tables_number   1
_cell_volume   442.859
_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  0.208  0.794  0.562  1.0
  Tl  Tl1  1  0.206  0.792  0.938  1.0
  Tl  Tl2  1  0.792  0.206  0.438  1.0
  Tl  Tl3  1  0.794  0.208  0.062  1.0
  Cu  Cu4  1  0.674  0.830  0.749  1.0
  Cu  Cu5  1  0.170  0.326  0.751  1.0
  Cu  Cu6  1  0.326  0.170  0.251  1.0
  Cu  Cu7  1  0.830  0.674  0.249  1.0
  P  P8  1  0.703  0.359  0.647  1.0
  P  P9  1  0.641  0.297  0.853  1.0
  P  P10  1  0.297  0.641  0.353  1.0
  P  P11  1  0.359  0.703  0.147  1.0
  O  O12  1  0.867  0.522  0.704  1.0
  O  O13  1  0.478  0.133  0.796  1.0
  O  O14  1  0.133  0.478  0.296  1.0
  O  O15  1  0.522  0.867  0.204  1.0
  O  O16  1  0.210  0.541  0.432  1.0
  O  O17  1  0.459  0.790  0.068  1.0
  O  O18  1  0.790  0.459  0.568  1.0
  O  O19  1  0.541  0.210  0.932  1.0
  O  O20  1  0.395  0.423  0.662  1.0
  O  O21  1  0.577  0.605  0.838  1.0
  O  O22  1  0.605  0.577  0.338  1.0
  O  O23  1  0.423  0.395  0.162  1.0
  O  O24  1  0.768  0.053  0.661  1.0
  O  O25  1  0.947  0.232  0.839  1.0
  O  O26  1  0.232  0.947  0.339  1.0
  O  O27  1  0.053  0.768  0.161  1.0
[/CIF]
.