The compound described by Li3Ga14 crystallizes in the trigonal R3m space group. Li(1) is bonded in a 9-coordinate geometry to one Ga(4), two equivalent Ga(1), two equivalent Ga(2), two equivalent Ga(5), and two equivalent Ga(6) atoms. There are six inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 8-coordinate geometry to two equivalent Li(1), one Ga(2), one Ga(5), two equivalent Ga(1), and two equivalent Ga(6) atoms. In the second Ga site, Ga(2) is bonded in a 8-coordinate geometry to two equivalent Li(1), one Ga(1), one Ga(6), two equivalent Ga(2), and two equivalent Ga(5) atoms. In the third Ga site, Ga(3) is bonded in a tetrahedral geometry to one Ga(4) and three equivalent Ga(6) atoms. In the fourth Ga site, Ga(4) is bonded in a distorted hexagonal pyramidal geometry to three equivalent Li(1), one Ga(3), and three equivalent Ga(5) atoms. In the fifth Ga site, Ga(5) is bonded in a 8-coordinate geometry to two equivalent Li(1), one Ga(1), one Ga(4), two equivalent Ga(2), and two equivalent Ga(6) atoms. In the sixth Ga site, Ga(6) is bonded in a 8-coordinate geometry to two equivalent Li(1), one Ga(2), one Ga(3), two equivalent Ga(1), and two equivalent Ga(5) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li3Ga14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.359
_cell_length_b   7.359
_cell_length_c   7.359
_cell_angle_alpha   69.053
_cell_angle_beta   69.053
_cell_angle_gamma   69.053
_symmetry_Int_Tables_number   1
_cell_volume   335.302
_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  0.117  0.524  0.117  1.0
  Li  Li1  1  0.117  0.117  0.524  1.0
  Li  Li2  1  0.524  0.117  0.117  1.0
  Ga  Ga3  1  0.496  0.177  0.496  1.0
  Ga  Ga4  1  0.496  0.496  0.177  1.0
  Ga  Ga5  1  0.177  0.496  0.496  1.0
  Ga  Ga6  1  0.517  0.831  0.517  1.0
  Ga  Ga7  1  0.517  0.517  0.831  1.0
  Ga  Ga8  1  0.831  0.517  0.517  1.0
  Ga  Ga9  1  0.083  0.083  0.083  1.0
  Ga  Ga10  1  0.928  0.928  0.928  1.0
  Ga  Ga11  1  0.707  0.189  0.707  1.0
  Ga  Ga12  1  0.707  0.707  0.189  1.0
  Ga  Ga13  1  0.189  0.707  0.707  1.0
  Ga  Ga14  1  0.300  0.819  0.300  1.0
  Ga  Ga15  1  0.300  0.300  0.819  1.0
  Ga  Ga16  1  0.819  0.300  0.300  1.0
[/CIF]
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The compound described by Li3Ga14 crystallizes in the trigonal R3m space group. Li(1) is bonded in a 9-coordinate geometry to one Ga(4), two equivalent Ga(1), two equivalent Ga(2), two equivalent Ga(5), and two equivalent Ga(6) atoms. There are six inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 8-coordinate geometry to two equivalent Li(1), one Ga(2), one Ga(5), two equivalent Ga(1), and two equivalent Ga(6) atoms. In the second Ga site, Ga(2) is bonded in a 8-coordinate geometry to two equivalent Li(1), one Ga(1), one Ga(6), two equivalent Ga(2), and two equivalent Ga(5) atoms. In the third Ga site, Ga(3) is bonded in a tetrahedral geometry to one Ga(4) and three equivalent Ga(6) atoms. In the fourth Ga site, Ga(4) is bonded in a distorted hexagonal pyramidal geometry to three equivalent Li(1), one Ga(3), and three equivalent Ga(5) atoms. In the fifth Ga site, Ga(5) is bonded in a 8-coordinate geometry to two equivalent Li(1), one Ga(1), one Ga(4), two equivalent Ga(2), and two equivalent Ga(6) atoms. In the sixth Ga site, Ga(6) is bonded in a 8-coordinate geometry to two equivalent Li(1), one Ga(2), one Ga(3), two equivalent Ga(1), and two equivalent Ga(5) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li3Ga14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.359
_cell_length_b   7.359
_cell_length_c   7.359
_cell_angle_alpha   69.053
_cell_angle_beta   69.053
_cell_angle_gamma   69.053
_symmetry_Int_Tables_number   1
_cell_volume   335.302
_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  0.117  0.524  0.117  1.0
  Li  Li1  1  0.117  0.117  0.524  1.0
  Li  Li2  1  0.524  0.117  0.117  1.0
  Ga  Ga3  1  0.496  0.177  0.496  1.0
  Ga  Ga4  1  0.496  0.496  0.177  1.0
  Ga  Ga5  1  0.177  0.496  0.496  1.0
  Ga  Ga6  1  0.517  0.831  0.517  1.0
  Ga  Ga7  1  0.517  0.517  0.831  1.0
  Ga  Ga8  1  0.831  0.517  0.517  1.0
  Ga  Ga9  1  0.083  0.083  0.083  1.0
  Ga  Ga10  1  0.928  0.928  0.928  1.0
  Ga  Ga11  1  0.707  0.189  0.707  1.0
  Ga  Ga12  1  0.707  0.707  0.189  1.0
  Ga  Ga13  1  0.189  0.707  0.707  1.0
  Ga  Ga14  1  0.300  0.819  0.300  1.0
  Ga  Ga15  1  0.300  0.300  0.819  1.0
  Ga  Ga16  1  0.819  0.300  0.300  1.0
[/CIF]
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