The material described by ThGa crystallizes in the orthorhombic Pnma space group. There are two inequivalent Th sites. In the first Th site, Th(1) is bonded in a 7-coordinate geometry to three equivalent Ga(2) and four equivalent Ga(1) atoms. In the second Th site, Th(2) is bonded in a 7-coordinate geometry to three equivalent Ga(1) and four equivalent Ga(2) atoms. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 9-coordinate geometry to three equivalent Th(2), four equivalent Th(1), and two equivalent Ga(2) atoms. In the second Ga site, Ga(2) is bonded in a 9-coordinate geometry to three equivalent Th(1), four equivalent Th(2), and two equivalent Ga(1) atoms. is represented by the CIF card [CIF]
data_ThGa
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.133
_cell_length_b   6.074
_cell_length_c   16.442
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   412.757
_cell_formula_units_Z   8
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
  Th  Th0  1  0.250  0.487  0.286  1.0
  Th  Th1  1  0.750  0.513  0.714  1.0
  Th  Th2  1  0.750  0.987  0.214  1.0
  Th  Th3  1  0.250  0.013  0.786  1.0
  Th  Th4  1  0.250  0.750  0.036  1.0
  Th  Th5  1  0.750  0.250  0.964  1.0
  Th  Th6  1  0.750  0.250  0.464  1.0
  Th  Th7  1  0.250  0.750  0.536  1.0
  Ga  Ga8  1  0.250  0.994  0.357  1.0
  Ga  Ga9  1  0.750  0.006  0.643  1.0
  Ga  Ga10  1  0.750  0.494  0.143  1.0
  Ga  Ga11  1  0.250  0.506  0.857  1.0
  Ga  Ga12  1  0.250  0.246  0.107  1.0
  Ga  Ga13  1  0.750  0.754  0.893  1.0
  Ga  Ga14  1  0.750  0.746  0.393  1.0
  Ga  Ga15  1  0.250  0.254  0.607  1.0
[/CIF]
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The material described by ThGa crystallizes in the orthorhombic Pnma space group. There are two inequivalent Th sites. In the first Th site, Th(1) is bonded in a 7-coordinate geometry to three equivalent Ga(2) and four equivalent Ga(1) atoms. In the second Th site, Th(2) is bonded in a 7-coordinate geometry to three equivalent Ga(1) and four equivalent Ga(2) atoms. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 9-coordinate geometry to three equivalent Th(2), four equivalent Th(1), and two equivalent Ga(2) atoms. In the second Ga site, Ga(2) is bonded in a 9-coordinate geometry to three equivalent Th(1), four equivalent Th(2), and two equivalent Ga(1) atoms. is represented by the CIF card [CIF]
data_ThGa
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.133
_cell_length_b   6.074
_cell_length_c   16.442
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   412.757
_cell_formula_units_Z   8
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
  Th  Th0  1  0.250  0.487  0.286  1.0
  Th  Th1  1  0.750  0.513  0.714  1.0
  Th  Th2  1  0.750  0.987  0.214  1.0
  Th  Th3  1  0.250  0.013  0.786  1.0
  Th  Th4  1  0.250  0.750  0.036  1.0
  Th  Th5  1  0.750  0.250  0.964  1.0
  Th  Th6  1  0.750  0.250  0.464  1.0
  Th  Th7  1  0.250  0.750  0.536  1.0
  Ga  Ga8  1  0.250  0.994  0.357  1.0
  Ga  Ga9  1  0.750  0.006  0.643  1.0
  Ga  Ga10  1  0.750  0.494  0.143  1.0
  Ga  Ga11  1  0.250  0.506  0.857  1.0
  Ga  Ga12  1  0.250  0.246  0.107  1.0
  Ga  Ga13  1  0.750  0.754  0.893  1.0
  Ga  Ga14  1  0.750  0.746  0.393  1.0
  Ga  Ga15  1  0.250  0.254  0.607  1.0
[/CIF]
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