The material described by LiYGa4 crystallizes in the hexagonal P-6m2 space group. Li(1) is bonded in a 6-coordinate geometry to six equivalent Ga(1) and six equivalent Ga(2) atoms. Y(1) is bonded in a 6-coordinate geometry to six equivalent Ga(1) and six equivalent Ga(2) atoms. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 10-coordinate geometry to three equivalent Li(1), three equivalent Y(1), one Ga(1), and three equivalent Ga(2) atoms. In the second Ga site, Ga(2) is bonded in a 9-coordinate geometry to three equivalent Li(1), three equivalent Y(1), and three equivalent Ga(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiYGa4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.299
_cell_length_b   4.299
_cell_length_c   6.903
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   110.489
_cell_formula_units_Z   1
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  0.000  0.000  0.500  1.0
  Y  Y1  1  0.000  0.000  0.000  1.0
  Ga  Ga2  1  0.333  0.667  0.311  1.0
  Ga  Ga3  1  0.667  0.333  0.776  1.0
  Ga  Ga4  1  0.333  0.667  0.689  1.0
  Ga  Ga5  1  0.667  0.333  0.224  1.0
[/CIF]
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The material described by LiYGa4 crystallizes in the hexagonal P-6m2 space group. Li(1) is bonded in a 6-coordinate geometry to six equivalent Ga(1) and six equivalent Ga(2) atoms. Y(1) is bonded in a 6-coordinate geometry to six equivalent Ga(1) and six equivalent Ga(2) atoms. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 10-coordinate geometry to three equivalent Li(1), three equivalent Y(1), one Ga(1), and three equivalent Ga(2) atoms. In the second Ga site, Ga(2) is bonded in a 9-coordinate geometry to three equivalent Li(1), three equivalent Y(1), and three equivalent Ga(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiYGa4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.299
_cell_length_b   4.299
_cell_length_c   6.903
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   110.489
_cell_formula_units_Z   1
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  0.000  0.000  0.500  1.0
  Y  Y1  1  0.000  0.000  0.000  1.0
  Ga  Ga2  1  0.333  0.667  0.311  1.0
  Ga  Ga3  1  0.667  0.333  0.776  1.0
  Ga  Ga4  1  0.333  0.667  0.689  1.0
  Ga  Ga5  1  0.667  0.333  0.224  1.0
[/CIF]
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