The crystal structure described by TlAlSiO4 crystallizes in the monoclinic P2_1/c space group. Tl(1) is bonded in a 4-coordinate geometry to one Al(1), one O(3), and two equivalent O(2) atoms. Al(1) is bonded in a 4-coordinate geometry to one Tl(1), two equivalent O(1), and two equivalent O(4) atoms. Si(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a T-shaped geometry to two equivalent Al(1) and one Si(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to two equivalent Tl(1) and one Si(1) atom. In the third O site, O(3) is bonded in an L-shaped geometry to one Tl(1) and one Si(1) atom. In the fourth O site, O(4) is bonded in a T-shaped geometry to two equivalent Al(1) and one Si(1) atom. is represented by the CIF file [CIF]
data_AlTlSiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.257
_cell_length_b   7.444
_cell_length_c   13.063
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   86.992
_symmetry_Int_Tables_number   1
_cell_volume   510.493
_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
  Al  Al0  1  0.251  0.979  0.463  1.0
  Al  Al1  1  0.249  0.521  0.963  1.0
  Al  Al2  1  0.751  0.479  0.037  1.0
  Al  Al3  1  0.749  0.021  0.537  1.0
  Tl  Tl4  1  0.230  0.513  0.757  1.0
  Tl  Tl5  1  0.730  0.013  0.743  1.0
  Tl  Tl6  1  0.770  0.487  0.243  1.0
  Tl  Tl7  1  0.270  0.987  0.257  1.0
  Si  Si8  1  0.742  0.768  0.913  1.0
  Si  Si9  1  0.758  0.732  0.413  1.0
  Si  Si10  1  0.242  0.268  0.587  1.0
  Si  Si11  1  0.258  0.232  0.087  1.0
  O  O12  1  0.019  0.158  0.519  1.0
  O  O13  1  0.261  0.188  0.703  1.0
  O  O14  1  0.761  0.688  0.797  1.0
  O  O15  1  0.777  0.516  0.410  1.0
  O  O16  1  0.277  0.016  0.090  1.0
  O  O17  1  0.969  0.663  0.990  1.0
  O  O18  1  0.481  0.342  0.019  1.0
  O  O19  1  0.469  0.163  0.510  1.0
  O  O20  1  0.239  0.312  0.203  1.0
  O  O21  1  0.723  0.984  0.910  1.0
  O  O22  1  0.223  0.484  0.590  1.0
  O  O23  1  0.519  0.658  0.981  1.0
  O  O24  1  0.531  0.837  0.490  1.0
  O  O25  1  0.031  0.337  0.010  1.0
  O  O26  1  0.739  0.812  0.297  1.0
  O  O27  1  0.981  0.842  0.481  1.0
[/CIF]
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The crystal structure described by TlAlSiO4 crystallizes in the monoclinic P2_1/c space group. Tl(1) is bonded in a 4-coordinate geometry to one Al(1), one O(3), and two equivalent O(2) atoms. Al(1) is bonded in a 4-coordinate geometry to one Tl(1), two equivalent O(1), and two equivalent O(4) atoms. Si(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a T-shaped geometry to two equivalent Al(1) and one Si(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to two equivalent Tl(1) and one Si(1) atom. In the third O site, O(3) is bonded in an L-shaped geometry to one Tl(1) and one Si(1) atom. In the fourth O site, O(4) is bonded in a T-shaped geometry to two equivalent Al(1) and one Si(1) atom. is represented by the CIF file [CIF]
data_AlTlSiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.257
_cell_length_b   7.444
_cell_length_c   13.063
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   86.992
_symmetry_Int_Tables_number   1
_cell_volume   510.493
_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
  Al  Al0  1  0.251  0.979  0.463  1.0
  Al  Al1  1  0.249  0.521  0.963  1.0
  Al  Al2  1  0.751  0.479  0.037  1.0
  Al  Al3  1  0.749  0.021  0.537  1.0
  Tl  Tl4  1  0.230  0.513  0.757  1.0
  Tl  Tl5  1  0.730  0.013  0.743  1.0
  Tl  Tl6  1  0.770  0.487  0.243  1.0
  Tl  Tl7  1  0.270  0.987  0.257  1.0
  Si  Si8  1  0.742  0.768  0.913  1.0
  Si  Si9  1  0.758  0.732  0.413  1.0
  Si  Si10  1  0.242  0.268  0.587  1.0
  Si  Si11  1  0.258  0.232  0.087  1.0
  O  O12  1  0.019  0.158  0.519  1.0
  O  O13  1  0.261  0.188  0.703  1.0
  O  O14  1  0.761  0.688  0.797  1.0
  O  O15  1  0.777  0.516  0.410  1.0
  O  O16  1  0.277  0.016  0.090  1.0
  O  O17  1  0.969  0.663  0.990  1.0
  O  O18  1  0.481  0.342  0.019  1.0
  O  O19  1  0.469  0.163  0.510  1.0
  O  O20  1  0.239  0.312  0.203  1.0
  O  O21  1  0.723  0.984  0.910  1.0
  O  O22  1  0.223  0.484  0.590  1.0
  O  O23  1  0.519  0.658  0.981  1.0
  O  O24  1  0.531  0.837  0.490  1.0
  O  O25  1  0.031  0.337  0.010  1.0
  O  O26  1  0.739  0.812  0.297  1.0
  O  O27  1  0.981  0.842  0.481  1.0
[/CIF]
.