The material described by Tl3AsO4 crystallizes in the hexagonal P6_3 space group. Tl(1) is bonded in a distorted T-shaped geometry to one O(2) and two equivalent O(1) atoms. As(1) is bonded in a tetrahedral geometry to one O(2) and three equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Tl(1) and one As(1) atom. In the second O site, O(2) is bonded in a tetrahedral geometry to three equivalent Tl(1) and one As(1) atom. is represented by the CIF file [CIF]
data_Tl3AsO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.676
_cell_length_b   8.677
_cell_length_c   5.220
_cell_angle_alpha   89.999
_cell_angle_beta   89.999
_cell_angle_gamma   119.996
_symmetry_Int_Tables_number   1
_cell_volume   340.376
_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
  Tl  Tl0  1  0.728  0.088  0.003  1.0
  Tl  Tl1  1  0.912  0.641  0.003  1.0
  Tl  Tl2  1  0.641  0.728  0.503  1.0
  Tl  Tl3  1  0.272  0.912  0.503  1.0
  Tl  Tl4  1  0.088  0.359  0.503  1.0
  Tl  Tl5  1  0.359  0.272  0.003  1.0
  As  As6  1  0.333  0.667  0.984  1.0
  As  As7  1  0.667  0.333  0.484  1.0
  O  O8  1  0.604  0.123  0.584  1.0
  O  O9  1  0.481  0.604  0.084  1.0
  O  O10  1  0.123  0.519  0.084  1.0
  O  O11  1  0.877  0.480  0.584  1.0
  O  O12  1  0.333  0.667  0.653  1.0
  O  O13  1  0.396  0.877  0.084  1.0
  O  O14  1  0.667  0.333  0.153  1.0
  O  O15  1  0.520  0.396  0.584  1.0
[/CIF]
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The material described by Tl3AsO4 crystallizes in the hexagonal P6_3 space group. Tl(1) is bonded in a distorted T-shaped geometry to one O(2) and two equivalent O(1) atoms. As(1) is bonded in a tetrahedral geometry to one O(2) and three equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Tl(1) and one As(1) atom. In the second O site, O(2) is bonded in a tetrahedral geometry to three equivalent Tl(1) and one As(1) atom. is represented by the CIF file [CIF]
data_Tl3AsO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.676
_cell_length_b   8.677
_cell_length_c   5.220
_cell_angle_alpha   89.999
_cell_angle_beta   89.999
_cell_angle_gamma   119.996
_symmetry_Int_Tables_number   1
_cell_volume   340.376
_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
  Tl  Tl0  1  0.728  0.088  0.003  1.0
  Tl  Tl1  1  0.912  0.641  0.003  1.0
  Tl  Tl2  1  0.641  0.728  0.503  1.0
  Tl  Tl3  1  0.272  0.912  0.503  1.0
  Tl  Tl4  1  0.088  0.359  0.503  1.0
  Tl  Tl5  1  0.359  0.272  0.003  1.0
  As  As6  1  0.333  0.667  0.984  1.0
  As  As7  1  0.667  0.333  0.484  1.0
  O  O8  1  0.604  0.123  0.584  1.0
  O  O9  1  0.481  0.604  0.084  1.0
  O  O10  1  0.123  0.519  0.084  1.0
  O  O11  1  0.877  0.480  0.584  1.0
  O  O12  1  0.333  0.667  0.653  1.0
  O  O13  1  0.396  0.877  0.084  1.0
  O  O14  1  0.667  0.333  0.153  1.0
  O  O15  1  0.520  0.396  0.584  1.0
[/CIF]
.