The structure described by Li5Ga4 crystallizes in the trigonal P-3m1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to three equivalent Li(3) and four equivalent Ga(1) atoms to form distorted LiLi3Ga4 tetrahedra that share corners with three equivalent Li(1)Li3Ga4 tetrahedra, corners with four equivalent Li(2)Ga4 tetrahedra, corners with six equivalent Ga(2)Li4 tetrahedra, edges with six equivalent Li(1)Li3Ga4 tetrahedra, and faces with three equivalent Li(1)Li3Ga4 tetrahedra. In the second Li site, Li(2) is bonded to one Ga(1) and three equivalent Ga(2) atoms to form distorted LiGa4 tetrahedra that share corners with four equivalent Li(1)Li3Ga4 tetrahedra and corners with six equivalent Li(2)Ga4 tetrahedra. In the third Li site, Li(3) is bonded in a distorted linear geometry to six equivalent Li(1), two equivalent Ga(2), and six equivalent Ga(1) atoms. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 5-coordinate geometry to one Li(2), three equivalent Li(3), and four equivalent Li(1) atoms. In the second Ga site, Ga(2) is bonded to one Li(3) and three equivalent Li(2) atoms to form distorted GaLi4 tetrahedra that share corners with six equivalent Li(1)Li3Ga4 tetrahedra and corners with seven equivalent Ga(2)Li4 tetrahedra. is represented by the CIF card [CIF]
data_Li5Ga4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.314
_cell_length_b   4.314
_cell_length_c   8.219
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   132.478
_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  0.667  0.333  0.881  1.0
  Li  Li1  1  0.333  0.667  0.119  1.0
  Li  Li2  1  0.667  0.333  0.553  1.0
  Li  Li3  1  0.333  0.667  0.447  1.0
  Li  Li4  1  0.000  0.000  0.000  1.0
  Ga  Ga5  1  0.667  0.333  0.222  1.0
  Ga  Ga6  1  0.333  0.667  0.778  1.0
  Ga  Ga7  1  0.000  0.000  0.667  1.0
  Ga  Ga8  1  0.000  0.000  0.333  1.0
[/CIF]
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The structure described by Li5Ga4 crystallizes in the trigonal P-3m1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to three equivalent Li(3) and four equivalent Ga(1) atoms to form distorted LiLi3Ga4 tetrahedra that share corners with three equivalent Li(1)Li3Ga4 tetrahedra, corners with four equivalent Li(2)Ga4 tetrahedra, corners with six equivalent Ga(2)Li4 tetrahedra, edges with six equivalent Li(1)Li3Ga4 tetrahedra, and faces with three equivalent Li(1)Li3Ga4 tetrahedra. In the second Li site, Li(2) is bonded to one Ga(1) and three equivalent Ga(2) atoms to form distorted LiGa4 tetrahedra that share corners with four equivalent Li(1)Li3Ga4 tetrahedra and corners with six equivalent Li(2)Ga4 tetrahedra. In the third Li site, Li(3) is bonded in a distorted linear geometry to six equivalent Li(1), two equivalent Ga(2), and six equivalent Ga(1) atoms. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 5-coordinate geometry to one Li(2), three equivalent Li(3), and four equivalent Li(1) atoms. In the second Ga site, Ga(2) is bonded to one Li(3) and three equivalent Li(2) atoms to form distorted GaLi4 tetrahedra that share corners with six equivalent Li(1)Li3Ga4 tetrahedra and corners with seven equivalent Ga(2)Li4 tetrahedra. is represented by the CIF card [CIF]
data_Li5Ga4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.314
_cell_length_b   4.314
_cell_length_c   8.219
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   132.478
_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  0.667  0.333  0.881  1.0
  Li  Li1  1  0.333  0.667  0.119  1.0
  Li  Li2  1  0.667  0.333  0.553  1.0
  Li  Li3  1  0.333  0.667  0.447  1.0
  Li  Li4  1  0.000  0.000  0.000  1.0
  Ga  Ga5  1  0.667  0.333  0.222  1.0
  Ga  Ga6  1  0.333  0.667  0.778  1.0
  Ga  Ga7  1  0.000  0.000  0.667  1.0
  Ga  Ga8  1  0.000  0.000  0.333  1.0
[/CIF]
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