The material described by Tb(WO4)2Tl crystallizes in the monoclinic C2/c space group. The structure consists of four 7440-28-0 atoms inside a Tb(WO4)2 framework. In the Tb(WO4)2 framework, Tb(1) is bonded in a 6-coordinate geometry to two equivalent O(2), two equivalent O(3), and two equivalent O(4) 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 one Tb(1) and one W(1) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Tb(1) and two equivalent W(1) atoms. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Tb(1) and one W(1) atom. is represented by the CIF card [CIF]
data_TbTl(WO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.651
_cell_length_b   7.651
_cell_length_c   7.498
_cell_angle_alpha   62.435
_cell_angle_beta   62.435
_cell_angle_gamma   88.560
_symmetry_Int_Tables_number   1
_cell_volume   334.801
_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
  Tb  Tb0  1  0.776  0.224  0.750  1.0
  Tb  Tb1  1  0.224  0.776  0.250  1.0
  Tl  Tl2  1  0.206  0.794  0.750  1.0
  Tl  Tl3  1  0.794  0.206  0.250  1.0
  W  W4  1  0.700  0.690  0.781  1.0
  W  W5  1  0.300  0.310  0.219  1.0
  W  W6  1  0.310  0.300  0.719  1.0
  W  W7  1  0.690  0.700  0.281  1.0
  O  O8  1  0.620  0.754  0.559  1.0
  O  O9  1  0.380  0.246  0.441  1.0
  O  O10  1  0.246  0.380  0.941  1.0
  O  O11  1  0.754  0.620  0.059  1.0
  O  O12  1  0.376  0.063  0.875  1.0
  O  O13  1  0.624  0.937  0.125  1.0
  O  O14  1  0.937  0.624  0.625  1.0
  O  O15  1  0.063  0.376  0.375  1.0
  O  O16  1  0.589  0.370  0.968  1.0
  O  O17  1  0.411  0.630  0.032  1.0
  O  O18  1  0.630  0.411  0.532  1.0
  O  O19  1  0.370  0.589  0.468  1.0
  O  O20  1  0.784  0.955  0.690  1.0
  O  O21  1  0.216  0.045  0.310  1.0
  O  O22  1  0.045  0.216  0.810  1.0
  O  O23  1  0.955  0.784  0.190  1.0
[/CIF]
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The material described by Tb(WO4)2Tl crystallizes in the monoclinic C2/c space group. The structure consists of four 7440-28-0 atoms inside a Tb(WO4)2 framework. In the Tb(WO4)2 framework, Tb(1) is bonded in a 6-coordinate geometry to two equivalent O(2), two equivalent O(3), and two equivalent O(4) 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 one Tb(1) and one W(1) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Tb(1) and two equivalent W(1) atoms. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Tb(1) and one W(1) atom. is represented by the CIF card [CIF]
data_TbTl(WO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.651
_cell_length_b   7.651
_cell_length_c   7.498
_cell_angle_alpha   62.435
_cell_angle_beta   62.435
_cell_angle_gamma   88.560
_symmetry_Int_Tables_number   1
_cell_volume   334.801
_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
  Tb  Tb0  1  0.776  0.224  0.750  1.0
  Tb  Tb1  1  0.224  0.776  0.250  1.0
  Tl  Tl2  1  0.206  0.794  0.750  1.0
  Tl  Tl3  1  0.794  0.206  0.250  1.0
  W  W4  1  0.700  0.690  0.781  1.0
  W  W5  1  0.300  0.310  0.219  1.0
  W  W6  1  0.310  0.300  0.719  1.0
  W  W7  1  0.690  0.700  0.281  1.0
  O  O8  1  0.620  0.754  0.559  1.0
  O  O9  1  0.380  0.246  0.441  1.0
  O  O10  1  0.246  0.380  0.941  1.0
  O  O11  1  0.754  0.620  0.059  1.0
  O  O12  1  0.376  0.063  0.875  1.0
  O  O13  1  0.624  0.937  0.125  1.0
  O  O14  1  0.937  0.624  0.625  1.0
  O  O15  1  0.063  0.376  0.375  1.0
  O  O16  1  0.589  0.370  0.968  1.0
  O  O17  1  0.411  0.630  0.032  1.0
  O  O18  1  0.630  0.411  0.532  1.0
  O  O19  1  0.370  0.589  0.468  1.0
  O  O20  1  0.784  0.955  0.690  1.0
  O  O21  1  0.216  0.045  0.310  1.0
  O  O22  1  0.045  0.216  0.810  1.0
  O  O23  1  0.955  0.784  0.190  1.0
[/CIF]
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