The material described by Ce(WO4)2Tl crystallizes in the monoclinic C2/c space group. The structure consists of four 7440-28-0 atoms inside a Ce(WO4)2 framework. In the Ce(WO4)2 framework, Ce(1) is bonded in a 8-coordinate geometry to two equivalent O(3), two equivalent O(4), and four equivalent O(2) atoms. W(1) is bonded to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms to form a mixture of corner and edge-sharing WO6 octahedra. The corner-sharing octahedral tilt angles are 42°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to two equivalent W(1) atoms. In the second O site, O(2) is bonded in a 2-coordinate geometry to two equivalent Ce(1) and one W(1) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Ce(1) and two equivalent W(1) atoms. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Ce(1) and one W(1) atom. is represented by the CIF file [CIF]
data_CeTl(WO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.746
_cell_length_b   7.746
_cell_length_c   7.468
_cell_angle_alpha   63.250
_cell_angle_beta   63.250
_cell_angle_gamma   89.712
_symmetry_Int_Tables_number   1
_cell_volume   346.183
_cell_formula_units_Z   2
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
  Ce  Ce0  1  0.777  0.223  0.750  1.0
  Ce  Ce1  1  0.223  0.777  0.250  1.0
  Tl  Tl2  1  0.204  0.796  0.750  1.0
  Tl  Tl3  1  0.796  0.204  0.250  1.0
  W  W4  1  0.700  0.687  0.784  1.0
  W  W5  1  0.300  0.313  0.216  1.0
  W  W6  1  0.313  0.300  0.716  1.0
  W  W7  1  0.687  0.700  0.284  1.0
  O  O8  1  0.622  0.752  0.557  1.0
  O  O9  1  0.378  0.248  0.443  1.0
  O  O10  1  0.248  0.378  0.943  1.0
  O  O11  1  0.752  0.622  0.057  1.0
  O  O12  1  0.382  0.068  0.869  1.0
  O  O13  1  0.618  0.932  0.131  1.0
  O  O14  1  0.932  0.618  0.631  1.0
  O  O15  1  0.068  0.382  0.369  1.0
  O  O16  1  0.585  0.371  0.971  1.0
  O  O17  1  0.415  0.629  0.029  1.0
  O  O18  1  0.629  0.415  0.529  1.0
  O  O19  1  0.371  0.585  0.471  1.0
  O  O20  1  0.785  0.952  0.687  1.0
  O  O21  1  0.215  0.048  0.313  1.0
  O  O22  1  0.048  0.215  0.813  1.0
  O  O23  1  0.952  0.785  0.187  1.0
[/CIF]
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The material described by Ce(WO4)2Tl crystallizes in the monoclinic C2/c space group. The structure consists of four 7440-28-0 atoms inside a Ce(WO4)2 framework. In the Ce(WO4)2 framework, Ce(1) is bonded in a 8-coordinate geometry to two equivalent O(3), two equivalent O(4), and four equivalent O(2) atoms. W(1) is bonded to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms to form a mixture of corner and edge-sharing WO6 octahedra. The corner-sharing octahedral tilt angles are 42°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to two equivalent W(1) atoms. In the second O site, O(2) is bonded in a 2-coordinate geometry to two equivalent Ce(1) and one W(1) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Ce(1) and two equivalent W(1) atoms. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Ce(1) and one W(1) atom. is represented by the CIF file [CIF]
data_CeTl(WO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.746
_cell_length_b   7.746
_cell_length_c   7.468
_cell_angle_alpha   63.250
_cell_angle_beta   63.250
_cell_angle_gamma   89.712
_symmetry_Int_Tables_number   1
_cell_volume   346.183
_cell_formula_units_Z   2
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
  Ce  Ce0  1  0.777  0.223  0.750  1.0
  Ce  Ce1  1  0.223  0.777  0.250  1.0
  Tl  Tl2  1  0.204  0.796  0.750  1.0
  Tl  Tl3  1  0.796  0.204  0.250  1.0
  W  W4  1  0.700  0.687  0.784  1.0
  W  W5  1  0.300  0.313  0.216  1.0
  W  W6  1  0.313  0.300  0.716  1.0
  W  W7  1  0.687  0.700  0.284  1.0
  O  O8  1  0.622  0.752  0.557  1.0
  O  O9  1  0.378  0.248  0.443  1.0
  O  O10  1  0.248  0.378  0.943  1.0
  O  O11  1  0.752  0.622  0.057  1.0
  O  O12  1  0.382  0.068  0.869  1.0
  O  O13  1  0.618  0.932  0.131  1.0
  O  O14  1  0.932  0.618  0.631  1.0
  O  O15  1  0.068  0.382  0.369  1.0
  O  O16  1  0.585  0.371  0.971  1.0
  O  O17  1  0.415  0.629  0.029  1.0
  O  O18  1  0.629  0.415  0.529  1.0
  O  O19  1  0.371  0.585  0.471  1.0
  O  O20  1  0.785  0.952  0.687  1.0
  O  O21  1  0.215  0.048  0.313  1.0
  O  O22  1  0.048  0.215  0.813  1.0
  O  O23  1  0.952  0.785  0.187  1.0
[/CIF]
.