The material structure described by TlAlSiO4 crystallizes in the trigonal R3c space group. Tl(1) is bonded in a distorted T-shaped geometry to one O(2), one O(3), and one O(4) atom. Al(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form AlO4 tetrahedra that share corners with four equivalent Si(1)O4 tetrahedra. Si(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form SiO4 tetrahedra that share corners with four equivalent Al(1)O4 tetrahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Al(1) and one Si(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Tl(1), one Al(1), and one Si(1) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Tl(1), one Al(1), and one Si(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Tl(1), one Al(1), and one Si(1) atom. is represented by the CIF card [CIF]
data_AlTlSiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.072
_cell_length_b   9.072
_cell_length_c   9.072
_cell_angle_alpha   90.560
_cell_angle_beta   90.560
_cell_angle_gamma   90.560
_symmetry_Int_Tables_number   1
_cell_volume   746.425
_cell_formula_units_Z   6
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
  Al  Al0  1  0.502  0.749  0.996  1.0
  Al  Al1  1  0.996  0.502  0.749  1.0
  Al  Al2  1  0.749  0.996  0.502  1.0
  Al  Al3  1  0.002  0.496  0.249  1.0
  Al  Al4  1  0.249  0.002  0.496  1.0
  Al  Al5  1  0.496  0.249  0.002  1.0
  Tl  Tl6  1  0.352  0.650  0.352  1.0
  Tl  Tl7  1  0.650  0.352  0.352  1.0
  Tl  Tl8  1  0.352  0.352  0.650  1.0
  Tl  Tl9  1  0.150  0.852  0.852  1.0
  Tl  Tl10  1  0.852  0.150  0.852  1.0
  Tl  Tl11  1  0.852  0.852  0.150  1.0
  Si  Si12  1  0.999  0.749  0.500  1.0
  Si  Si13  1  0.500  0.999  0.749  1.0
  Si  Si14  1  0.749  0.500  0.999  1.0
  Si  Si15  1  0.499  0.000  0.249  1.0
  Si  Si16  1  0.249  0.499  0.000  1.0
  Si  Si17  1  0.000  0.249  0.499  1.0
  O  O18  1  0.651  0.640  0.948  1.0
  O  O19  1  0.948  0.651  0.640  1.0
  O  O20  1  0.640  0.948  0.651  1.0
  O  O21  1  0.351  0.641  0.056  1.0
  O  O22  1  0.056  0.650  0.359  1.0
  O  O23  1  0.363  0.940  0.351  1.0
  O  O24  1  0.650  0.359  0.056  1.0
  O  O25  1  0.940  0.351  0.363  1.0
  O  O26  1  0.641  0.056  0.351  1.0
  O  O27  1  0.351  0.363  0.940  1.0
  O  O28  1  0.056  0.351  0.641  1.0
  O  O29  1  0.359  0.056  0.650  1.0
  O  O30  1  0.150  0.556  0.859  1.0
  O  O31  1  0.440  0.863  0.851  1.0
  O  O32  1  0.141  0.851  0.556  1.0
  O  O33  1  0.851  0.440  0.863  1.0
  O  O34  1  0.556  0.141  0.851  1.0
  O  O35  1  0.859  0.150  0.556  1.0
  O  O36  1  0.151  0.448  0.140  1.0
  O  O37  1  0.448  0.140  0.151  1.0
  O  O38  1  0.140  0.151  0.448  1.0
  O  O39  1  0.851  0.556  0.141  1.0
  O  O40  1  0.556  0.859  0.150  1.0
  O  O41  1  0.863  0.851  0.440  1.0
[/CIF]
.
The material structure described by TlAlSiO4 crystallizes in the trigonal R3c space group. Tl(1) is bonded in a distorted T-shaped geometry to one O(2), one O(3), and one O(4) atom. Al(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form AlO4 tetrahedra that share corners with four equivalent Si(1)O4 tetrahedra. Si(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form SiO4 tetrahedra that share corners with four equivalent Al(1)O4 tetrahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Al(1) and one Si(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Tl(1), one Al(1), and one Si(1) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Tl(1), one Al(1), and one Si(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Tl(1), one Al(1), and one Si(1) atom. is represented by the CIF card [CIF]
data_AlTlSiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.072
_cell_length_b   9.072
_cell_length_c   9.072
_cell_angle_alpha   90.560
_cell_angle_beta   90.560
_cell_angle_gamma   90.560
_symmetry_Int_Tables_number   1
_cell_volume   746.425
_cell_formula_units_Z   6
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
  Al  Al0  1  0.502  0.749  0.996  1.0
  Al  Al1  1  0.996  0.502  0.749  1.0
  Al  Al2  1  0.749  0.996  0.502  1.0
  Al  Al3  1  0.002  0.496  0.249  1.0
  Al  Al4  1  0.249  0.002  0.496  1.0
  Al  Al5  1  0.496  0.249  0.002  1.0
  Tl  Tl6  1  0.352  0.650  0.352  1.0
  Tl  Tl7  1  0.650  0.352  0.352  1.0
  Tl  Tl8  1  0.352  0.352  0.650  1.0
  Tl  Tl9  1  0.150  0.852  0.852  1.0
  Tl  Tl10  1  0.852  0.150  0.852  1.0
  Tl  Tl11  1  0.852  0.852  0.150  1.0
  Si  Si12  1  0.999  0.749  0.500  1.0
  Si  Si13  1  0.500  0.999  0.749  1.0
  Si  Si14  1  0.749  0.500  0.999  1.0
  Si  Si15  1  0.499  0.000  0.249  1.0
  Si  Si16  1  0.249  0.499  0.000  1.0
  Si  Si17  1  0.000  0.249  0.499  1.0
  O  O18  1  0.651  0.640  0.948  1.0
  O  O19  1  0.948  0.651  0.640  1.0
  O  O20  1  0.640  0.948  0.651  1.0
  O  O21  1  0.351  0.641  0.056  1.0
  O  O22  1  0.056  0.650  0.359  1.0
  O  O23  1  0.363  0.940  0.351  1.0
  O  O24  1  0.650  0.359  0.056  1.0
  O  O25  1  0.940  0.351  0.363  1.0
  O  O26  1  0.641  0.056  0.351  1.0
  O  O27  1  0.351  0.363  0.940  1.0
  O  O28  1  0.056  0.351  0.641  1.0
  O  O29  1  0.359  0.056  0.650  1.0
  O  O30  1  0.150  0.556  0.859  1.0
  O  O31  1  0.440  0.863  0.851  1.0
  O  O32  1  0.141  0.851  0.556  1.0
  O  O33  1  0.851  0.440  0.863  1.0
  O  O34  1  0.556  0.141  0.851  1.0
  O  O35  1  0.859  0.150  0.556  1.0
  O  O36  1  0.151  0.448  0.140  1.0
  O  O37  1  0.448  0.140  0.151  1.0
  O  O38  1  0.140  0.151  0.448  1.0
  O  O39  1  0.851  0.556  0.141  1.0
  O  O40  1  0.556  0.859  0.150  1.0
  O  O41  1  0.863  0.851  0.440  1.0
[/CIF]
.