The material described by LiGaTe2 is Chalcopyrite structured and crystallizes in the tetragonal I-42d space group. Li(1) is bonded to four equivalent Te(1) atoms to form LiTe4 tetrahedra that share corners with four equivalent Li(1)Te4 tetrahedra and corners with eight equivalent Ga(1)Te4 tetrahedra. Ga(1) is bonded to four equivalent Te(1) atoms to form GaTe4 tetrahedra that share corners with four equivalent Ga(1)Te4 tetrahedra and corners with eight equivalent Li(1)Te4 tetrahedra. Te(1) is bonded to two equivalent Li(1) and two equivalent Ga(1) atoms to form corner-sharing TeLi2Ga2 tetrahedra. is represented by the CIF file [CIF]
data_LiGaTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.357
_cell_length_b   6.357
_cell_length_c   7.441
_cell_angle_alpha   115.289
_cell_angle_beta   115.289
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   239.654
_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
  Li  Li0  1  0.750  0.250  0.500  1.0
  Li  Li1  1  0.500  0.500  0.000  1.0
  Ga  Ga2  1  0.250  0.750  0.500  1.0
  Ga  Ga3  1  0.000  0.000  0.000  1.0
  Te  Te4  1  0.891  0.875  0.250  1.0
  Te  Te5  1  0.625  0.109  0.750  1.0
  Te  Te6  1  0.125  0.641  0.750  1.0
  Te  Te7  1  0.359  0.375  0.250  1.0
[/CIF]
.
The material described by LiGaTe2 is Chalcopyrite structured and crystallizes in the tetragonal I-42d space group. Li(1) is bonded to four equivalent Te(1) atoms to form LiTe4 tetrahedra that share corners with four equivalent Li(1)Te4 tetrahedra and corners with eight equivalent Ga(1)Te4 tetrahedra. Ga(1) is bonded to four equivalent Te(1) atoms to form GaTe4 tetrahedra that share corners with four equivalent Ga(1)Te4 tetrahedra and corners with eight equivalent Li(1)Te4 tetrahedra. Te(1) is bonded to two equivalent Li(1) and two equivalent Ga(1) atoms to form corner-sharing TeLi2Ga2 tetrahedra. is represented by the CIF file [CIF]
data_LiGaTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.357
_cell_length_b   6.357
_cell_length_c   7.441
_cell_angle_alpha   115.289
_cell_angle_beta   115.289
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   239.654
_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
  Li  Li0  1  0.750  0.250  0.500  1.0
  Li  Li1  1  0.500  0.500  0.000  1.0
  Ga  Ga2  1  0.250  0.750  0.500  1.0
  Ga  Ga3  1  0.000  0.000  0.000  1.0
  Te  Te4  1  0.891  0.875  0.250  1.0
  Te  Te5  1  0.625  0.109  0.750  1.0
  Te  Te6  1  0.125  0.641  0.750  1.0
  Te  Te7  1  0.359  0.375  0.250  1.0
[/CIF]
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