The material structure described by TlGaO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. Tl(1) is bonded in a 6-coordinate geometry to two equivalent O(1) and four equivalent O(2) atoms. Ga(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form corner-sharing GaO6 octahedra. The corner-sharing octahedral tilt angles range from 35-37°. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Tl(1) and two equivalent Ga(1) atoms to form distorted corner-sharing OTl2Ga2 tetrahedra. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Tl(1) and two equivalent Ga(1) atoms. is represented by the CIF file [CIF]
data_TlGaO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.352
_cell_length_b   5.498
_cell_length_c   7.874
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   231.735
_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
  Tl  Tl0  1  0.018  0.950  0.750  1.0
  Tl  Tl1  1  0.482  0.450  0.750  1.0
  Tl  Tl2  1  0.518  0.550  0.250  1.0
  Tl  Tl3  1  0.982  0.050  0.250  1.0
  Ga  Ga4  1  0.000  0.500  0.000  1.0
  Ga  Ga5  1  0.000  0.500  0.500  1.0
  Ga  Ga6  1  0.500  0.000  0.000  1.0
  Ga  Ga7  1  0.500  0.000  0.500  1.0
  O  O8  1  0.112  0.454  0.250  1.0
  O  O9  1  0.201  0.203  0.560  1.0
  O  O10  1  0.201  0.203  0.940  1.0
  O  O11  1  0.299  0.703  0.560  1.0
  O  O12  1  0.299  0.703  0.940  1.0
  O  O13  1  0.388  0.954  0.250  1.0
  O  O14  1  0.612  0.046  0.750  1.0
  O  O15  1  0.701  0.297  0.060  1.0
  O  O16  1  0.701  0.297  0.440  1.0
  O  O17  1  0.799  0.797  0.060  1.0
  O  O18  1  0.799  0.797  0.440  1.0
  O  O19  1  0.888  0.546  0.750  1.0
[/CIF]
.
The material structure described by TlGaO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. Tl(1) is bonded in a 6-coordinate geometry to two equivalent O(1) and four equivalent O(2) atoms. Ga(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form corner-sharing GaO6 octahedra. The corner-sharing octahedral tilt angles range from 35-37°. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Tl(1) and two equivalent Ga(1) atoms to form distorted corner-sharing OTl2Ga2 tetrahedra. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Tl(1) and two equivalent Ga(1) atoms. is represented by the CIF file [CIF]
data_TlGaO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.352
_cell_length_b   5.498
_cell_length_c   7.874
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   231.735
_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
  Tl  Tl0  1  0.018  0.950  0.750  1.0
  Tl  Tl1  1  0.482  0.450  0.750  1.0
  Tl  Tl2  1  0.518  0.550  0.250  1.0
  Tl  Tl3  1  0.982  0.050  0.250  1.0
  Ga  Ga4  1  0.000  0.500  0.000  1.0
  Ga  Ga5  1  0.000  0.500  0.500  1.0
  Ga  Ga6  1  0.500  0.000  0.000  1.0
  Ga  Ga7  1  0.500  0.000  0.500  1.0
  O  O8  1  0.112  0.454  0.250  1.0
  O  O9  1  0.201  0.203  0.560  1.0
  O  O10  1  0.201  0.203  0.940  1.0
  O  O11  1  0.299  0.703  0.560  1.0
  O  O12  1  0.299  0.703  0.940  1.0
  O  O13  1  0.388  0.954  0.250  1.0
  O  O14  1  0.612  0.046  0.750  1.0
  O  O15  1  0.701  0.297  0.060  1.0
  O  O16  1  0.701  0.297  0.440  1.0
  O  O17  1  0.799  0.797  0.060  1.0
  O  O18  1  0.799  0.797  0.440  1.0
  O  O19  1  0.888  0.546  0.750  1.0
[/CIF]
.