The material described by Li3Ga7 crystallizes in the trigonal R-3m space group. Li(1) is bonded in a 9-coordinate geometry to one Ga(3), four equivalent Ga(1), and four equivalent Ga(2) atoms. There are three inequivalent Ga sites. In the first Ga site, Ga(3) is bonded in a distorted hexagonal pyramidal geometry to three equivalent Li(1), one Ga(3), and three equivalent Ga(2) atoms. In the second Ga site, Ga(1) is bonded in a 10-coordinate geometry to four equivalent Li(1), three equivalent Ga(1), and three equivalent Ga(2) atoms. In the third Ga site, Ga(2) is bonded in a 10-coordinate geometry to four equivalent Li(1), one Ga(3), two equivalent Ga(2), and three equivalent Ga(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li3Ga7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.480
_cell_length_b   7.480
_cell_length_c   7.480
_cell_angle_alpha   68.541
_cell_angle_beta   68.541
_cell_angle_gamma   68.541
_symmetry_Int_Tables_number   1
_cell_volume   349.246
_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  0.477  0.881  0.881  1.0
  Li  Li1  1  0.881  0.477  0.881  1.0
  Li  Li2  1  0.119  0.523  0.119  1.0
  Li  Li3  1  0.881  0.881  0.477  1.0
  Li  Li4  1  0.119  0.119  0.523  1.0
  Li  Li5  1  0.523  0.119  0.119  1.0
  Ga  Ga6  1  0.174  0.491  0.491  1.0
  Ga  Ga7  1  0.183  0.704  0.704  1.0
  Ga  Ga8  1  0.296  0.296  0.817  1.0
  Ga  Ga9  1  0.826  0.509  0.509  1.0
  Ga  Ga10  1  0.704  0.704  0.183  1.0
  Ga  Ga11  1  0.509  0.826  0.509  1.0
  Ga  Ga12  1  0.817  0.296  0.296  1.0
  Ga  Ga13  1  0.078  0.078  0.078  1.0
  Ga  Ga14  1  0.509  0.509  0.826  1.0
  Ga  Ga15  1  0.296  0.817  0.296  1.0
  Ga  Ga16  1  0.491  0.174  0.491  1.0
  Ga  Ga17  1  0.704  0.183  0.704  1.0
  Ga  Ga18  1  0.491  0.491  0.174  1.0
  Ga  Ga19  1  0.922  0.922  0.922  1.0
[/CIF]
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The material described by Li3Ga7 crystallizes in the trigonal R-3m space group. Li(1) is bonded in a 9-coordinate geometry to one Ga(3), four equivalent Ga(1), and four equivalent Ga(2) atoms. There are three inequivalent Ga sites. In the first Ga site, Ga(3) is bonded in a distorted hexagonal pyramidal geometry to three equivalent Li(1), one Ga(3), and three equivalent Ga(2) atoms. In the second Ga site, Ga(1) is bonded in a 10-coordinate geometry to four equivalent Li(1), three equivalent Ga(1), and three equivalent Ga(2) atoms. In the third Ga site, Ga(2) is bonded in a 10-coordinate geometry to four equivalent Li(1), one Ga(3), two equivalent Ga(2), and three equivalent Ga(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li3Ga7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.480
_cell_length_b   7.480
_cell_length_c   7.480
_cell_angle_alpha   68.541
_cell_angle_beta   68.541
_cell_angle_gamma   68.541
_symmetry_Int_Tables_number   1
_cell_volume   349.246
_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  0.477  0.881  0.881  1.0
  Li  Li1  1  0.881  0.477  0.881  1.0
  Li  Li2  1  0.119  0.523  0.119  1.0
  Li  Li3  1  0.881  0.881  0.477  1.0
  Li  Li4  1  0.119  0.119  0.523  1.0
  Li  Li5  1  0.523  0.119  0.119  1.0
  Ga  Ga6  1  0.174  0.491  0.491  1.0
  Ga  Ga7  1  0.183  0.704  0.704  1.0
  Ga  Ga8  1  0.296  0.296  0.817  1.0
  Ga  Ga9  1  0.826  0.509  0.509  1.0
  Ga  Ga10  1  0.704  0.704  0.183  1.0
  Ga  Ga11  1  0.509  0.826  0.509  1.0
  Ga  Ga12  1  0.817  0.296  0.296  1.0
  Ga  Ga13  1  0.078  0.078  0.078  1.0
  Ga  Ga14  1  0.509  0.509  0.826  1.0
  Ga  Ga15  1  0.296  0.817  0.296  1.0
  Ga  Ga16  1  0.491  0.174  0.491  1.0
  Ga  Ga17  1  0.704  0.183  0.704  1.0
  Ga  Ga18  1  0.491  0.491  0.174  1.0
  Ga  Ga19  1  0.922  0.922  0.922  1.0
[/CIF]
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