The compound described by Li3CeGa8 crystallizes in the hexagonal P6/mmm space group. Li(1) is bonded to two equivalent Li(1), four equivalent Ga(1), and eight equivalent Ga(2) atoms to form a mixture of distorted edge, face, and corner-sharing LiLi2Ga12 cuboctahedra. Ce(1) is bonded in a 14-coordinate geometry to two equivalent Ce(1) and twelve equivalent Ga(2) atoms. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 11-coordinate geometry to six equivalent Li(1), two equivalent Ga(1), and three equivalent Ga(2) atoms. In the second Ga site, Ga(2) is bonded in a 11-coordinate geometry to four equivalent Li(1), two equivalent Ce(1), one Ga(1), and four equivalent Ga(2) atoms. is represented by the CIF file [CIF]
data_Li3CeGa8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.044
_cell_length_b   9.161
_cell_length_c   9.161
_cell_angle_alpha   120.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   221.238
_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  0.500  0.500  1.0
  Li  Li1  1  0.000  0.000  0.500  1.0
  Li  Li2  1  0.000  0.500  0.000  1.0
  Ce  Ce3  1  0.000  0.000  0.000  1.0
  Ga  Ga4  1  0.500  0.667  0.333  1.0
  Ga  Ga5  1  0.500  0.333  0.667  1.0
  Ga  Ga6  1  0.500  0.827  0.173  1.0
  Ga  Ga7  1  0.500  0.173  0.827  1.0
  Ga  Ga8  1  0.500  0.346  0.173  1.0
  Ga  Ga9  1  0.500  0.654  0.827  1.0
  Ga  Ga10  1  0.500  0.827  0.654  1.0
  Ga  Ga11  1  0.500  0.173  0.346  1.0
[/CIF]
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The compound described by Li3CeGa8 crystallizes in the hexagonal P6/mmm space group. Li(1) is bonded to two equivalent Li(1), four equivalent Ga(1), and eight equivalent Ga(2) atoms to form a mixture of distorted edge, face, and corner-sharing LiLi2Ga12 cuboctahedra. Ce(1) is bonded in a 14-coordinate geometry to two equivalent Ce(1) and twelve equivalent Ga(2) atoms. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 11-coordinate geometry to six equivalent Li(1), two equivalent Ga(1), and three equivalent Ga(2) atoms. In the second Ga site, Ga(2) is bonded in a 11-coordinate geometry to four equivalent Li(1), two equivalent Ce(1), one Ga(1), and four equivalent Ga(2) atoms. is represented by the CIF file [CIF]
data_Li3CeGa8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.044
_cell_length_b   9.161
_cell_length_c   9.161
_cell_angle_alpha   120.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   221.238
_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  0.500  0.500  1.0
  Li  Li1  1  0.000  0.000  0.500  1.0
  Li  Li2  1  0.000  0.500  0.000  1.0
  Ce  Ce3  1  0.000  0.000  0.000  1.0
  Ga  Ga4  1  0.500  0.667  0.333  1.0
  Ga  Ga5  1  0.500  0.333  0.667  1.0
  Ga  Ga6  1  0.500  0.827  0.173  1.0
  Ga  Ga7  1  0.500  0.173  0.827  1.0
  Ga  Ga8  1  0.500  0.346  0.173  1.0
  Ga  Ga9  1  0.500  0.654  0.827  1.0
  Ga  Ga10  1  0.500  0.827  0.654  1.0
  Ga  Ga11  1  0.500  0.173  0.346  1.0
[/CIF]
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