The material structure described by ZnTlPO4 crystallizes in the monoclinic P2_1 space group. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(3), one O(4), one O(6), and one O(8) atom to form ZnO4 tetrahedra that share  a cornercorner with one P(2)O4 tetrahedra and corners with three equivalent P(1)O4 tetrahedra. In the second Zn site, Zn(2) is bonded to one O(1), one O(2), one O(5), and one O(7) atom to form ZnO4 tetrahedra that share  a cornercorner with one P(1)O4 tetrahedra and corners with three equivalent P(2)O4 tetrahedra. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a 3-coordinate geometry to one O(1), one O(4), and one O(8) atom. In the second Tl site, Tl(2) is bonded in an L-shaped geometry to one O(3) and one O(6) atom. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(3), one O(6), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Zn(2)O4 tetrahedra and corners with three equivalent Zn(1)O4 tetrahedra. In the second P site, P(2) is bonded to one O(2), one O(4), one O(5), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Zn(1)O4 tetrahedra and corners with three equivalent Zn(2)O4 tetrahedra. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Zn(2), one Tl(1), and one P(1) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Zn(2) and one P(2) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Zn(1), one Tl(2), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Zn(1), one Tl(1), and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one Zn(2) and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted bent 120 degrees geometry to one Zn(1), one Tl(2), and one P(1) atom. In the seventh O site, O(7) is bonded in a distorted bent 120 degrees geometry to one Zn(2) and one P(2) atom. In the eighth O site, O(8) is bonded in a 2-coordinate geometry to one Zn(1), one Tl(1), and one P(1) atom. is represented by the CIF card [CIF]
data_TlZnPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.469
_cell_length_b   8.718
_cell_length_c   8.813
_cell_angle_alpha   89.284
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   420.157
_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  0.508  0.495  0.316  1.0
  Tl  Tl1  1  0.008  0.505  0.684  1.0
  Tl  Tl2  1  0.492  0.999  0.190  1.0
  Tl  Tl3  1  0.992  0.001  0.810  1.0
  Zn  Zn4  1  0.476  0.328  0.926  1.0
  Zn  Zn5  1  0.976  0.672  0.074  1.0
  Zn  Zn6  1  0.504  0.826  0.596  1.0
  Zn  Zn7  1  0.004  0.174  0.404  1.0
  P  P8  1  0.478  0.695  0.931  1.0
  P  P9  1  0.978  0.305  0.069  1.0
  P  P10  1  0.503  0.193  0.599  1.0
  P  P11  1  0.003  0.807  0.401  1.0
  O  O12  1  0.926  0.318  0.240  1.0
  O  O13  1  0.426  0.682  0.760  1.0
  O  O14  1  0.273  0.771  0.439  1.0
  O  O15  1  0.773  0.229  0.561  1.0
  O  O16  1  0.269  0.783  0.009  1.0
  O  O17  1  0.769  0.217  0.991  1.0
  O  O18  1  0.910  0.687  0.288  1.0
  O  O19  1  0.410  0.313  0.712  1.0
  O  O20  1  0.348  0.206  0.454  1.0
  O  O21  1  0.848  0.794  0.546  1.0
  O  O22  1  0.719  0.782  0.959  1.0
  O  O23  1  0.219  0.218  0.041  1.0
  O  O24  1  0.483  0.033  0.672  1.0
  O  O25  1  0.983  0.967  0.328  1.0
  O  O26  1  0.999  0.466  0.996  1.0
  O  O27  1  0.499  0.534  0.004  1.0
[/CIF]
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The material structure described by ZnTlPO4 crystallizes in the monoclinic P2_1 space group. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(3), one O(4), one O(6), and one O(8) atom to form ZnO4 tetrahedra that share  a cornercorner with one P(2)O4 tetrahedra and corners with three equivalent P(1)O4 tetrahedra. In the second Zn site, Zn(2) is bonded to one O(1), one O(2), one O(5), and one O(7) atom to form ZnO4 tetrahedra that share  a cornercorner with one P(1)O4 tetrahedra and corners with three equivalent P(2)O4 tetrahedra. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a 3-coordinate geometry to one O(1), one O(4), and one O(8) atom. In the second Tl site, Tl(2) is bonded in an L-shaped geometry to one O(3) and one O(6) atom. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(3), one O(6), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Zn(2)O4 tetrahedra and corners with three equivalent Zn(1)O4 tetrahedra. In the second P site, P(2) is bonded to one O(2), one O(4), one O(5), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Zn(1)O4 tetrahedra and corners with three equivalent Zn(2)O4 tetrahedra. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Zn(2), one Tl(1), and one P(1) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Zn(2) and one P(2) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Zn(1), one Tl(2), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Zn(1), one Tl(1), and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one Zn(2) and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted bent 120 degrees geometry to one Zn(1), one Tl(2), and one P(1) atom. In the seventh O site, O(7) is bonded in a distorted bent 120 degrees geometry to one Zn(2) and one P(2) atom. In the eighth O site, O(8) is bonded in a 2-coordinate geometry to one Zn(1), one Tl(1), and one P(1) atom. is represented by the CIF card [CIF]
data_TlZnPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.469
_cell_length_b   8.718
_cell_length_c   8.813
_cell_angle_alpha   89.284
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   420.157
_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  0.508  0.495  0.316  1.0
  Tl  Tl1  1  0.008  0.505  0.684  1.0
  Tl  Tl2  1  0.492  0.999  0.190  1.0
  Tl  Tl3  1  0.992  0.001  0.810  1.0
  Zn  Zn4  1  0.476  0.328  0.926  1.0
  Zn  Zn5  1  0.976  0.672  0.074  1.0
  Zn  Zn6  1  0.504  0.826  0.596  1.0
  Zn  Zn7  1  0.004  0.174  0.404  1.0
  P  P8  1  0.478  0.695  0.931  1.0
  P  P9  1  0.978  0.305  0.069  1.0
  P  P10  1  0.503  0.193  0.599  1.0
  P  P11  1  0.003  0.807  0.401  1.0
  O  O12  1  0.926  0.318  0.240  1.0
  O  O13  1  0.426  0.682  0.760  1.0
  O  O14  1  0.273  0.771  0.439  1.0
  O  O15  1  0.773  0.229  0.561  1.0
  O  O16  1  0.269  0.783  0.009  1.0
  O  O17  1  0.769  0.217  0.991  1.0
  O  O18  1  0.910  0.687  0.288  1.0
  O  O19  1  0.410  0.313  0.712  1.0
  O  O20  1  0.348  0.206  0.454  1.0
  O  O21  1  0.848  0.794  0.546  1.0
  O  O22  1  0.719  0.782  0.959  1.0
  O  O23  1  0.219  0.218  0.041  1.0
  O  O24  1  0.483  0.033  0.672  1.0
  O  O25  1  0.983  0.967  0.328  1.0
  O  O26  1  0.999  0.466  0.996  1.0
  O  O27  1  0.499  0.534  0.004  1.0
[/CIF]
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