The material described by Fe3Ga4 crystallizes in the monoclinic C2/m space group. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a cuboctahedral geometry to four equivalent Fe(4), two equivalent Ga(1), two equivalent Ga(2), and four equivalent Ga(3) atoms. In the second Fe site, Fe(2) is bonded in a 7-coordinate geometry to one Fe(3), one Ga(1), two equivalent Ga(3), and four equivalent Ga(4) atoms. In the third Fe site, Fe(3) is bonded in a 11-coordinate geometry to one Fe(2), two equivalent Fe(4), two equivalent Ga(2), two equivalent Ga(3), and four equivalent Ga(4) atoms. In the fourth Fe site, Fe(4) is bonded in a 9-coordinate geometry to one Fe(1), one Fe(3), one Ga(2), one Ga(4), two equivalent Ga(1), and three equivalent Ga(3) atoms. There are four inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 6-coordinate geometry to one Fe(1), one Fe(2), four equivalent Fe(4), and four equivalent Ga(3) atoms. In the second Ga site, Ga(2) is bonded in a 10-coordinate geometry to one Fe(1), two equivalent Fe(3), two equivalent Fe(4), one Ga(2), two equivalent Ga(3), and two equivalent Ga(4) atoms. In the third Ga site, Ga(3) is bonded in a 13-coordinate geometry to one Fe(1), one Fe(2), one Fe(3), three equivalent Fe(4), one Ga(2), two equivalent Ga(1), two equivalent Ga(3), and two equivalent Ga(4) atoms. In the fourth Ga site, Ga(4) is bonded in a 6-coordinate geometry to one Fe(4), two equivalent Fe(2), two equivalent Fe(3), one Ga(2), one Ga(4), and two equivalent Ga(3) atoms. is represented by the CIF card [CIF]
data_Ga4Fe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.326
_cell_length_b   6.326
_cell_length_c   7.841
_cell_angle_alpha   77.237
_cell_angle_beta   77.237
_cell_angle_gamma   74.592
_symmetry_Int_Tables_number   1
_cell_volume   290.573
_cell_formula_units_Z   3
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
  Ga  Ga0  1  0.270  0.270  0.917  1.0
  Ga  Ga1  1  0.730  0.730  0.083  1.0
  Ga  Ga2  1  0.041  0.041  0.653  1.0
  Ga  Ga3  1  0.959  0.959  0.347  1.0
  Ga  Ga4  1  0.404  0.811  0.849  1.0
  Ga  Ga5  1  0.811  0.404  0.849  1.0
  Ga  Ga6  1  0.596  0.189  0.151  1.0
  Ga  Ga7  1  0.189  0.596  0.151  1.0
  Ga  Ga8  1  0.166  0.538  0.551  1.0
  Ga  Ga9  1  0.538  0.166  0.551  1.0
  Ga  Ga10  1  0.834  0.462  0.449  1.0
  Ga  Ga11  1  0.462  0.834  0.449  1.0
  Fe  Fe12  1  0.000  0.000  0.000  1.0
  Fe  Fe13  1  0.495  0.495  0.689  1.0
  Fe  Fe14  1  0.505  0.505  0.311  1.0
  Fe  Fe15  1  0.224  0.224  0.359  1.0
  Fe  Fe16  1  0.776  0.776  0.641  1.0
  Fe  Fe17  1  0.934  0.338  0.152  1.0
  Fe  Fe18  1  0.338  0.934  0.152  1.0
  Fe  Fe19  1  0.066  0.662  0.848  1.0
  Fe  Fe20  1  0.662  0.066  0.848  1.0
[/CIF]
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The material described by Fe3Ga4 crystallizes in the monoclinic C2/m space group. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a cuboctahedral geometry to four equivalent Fe(4), two equivalent Ga(1), two equivalent Ga(2), and four equivalent Ga(3) atoms. In the second Fe site, Fe(2) is bonded in a 7-coordinate geometry to one Fe(3), one Ga(1), two equivalent Ga(3), and four equivalent Ga(4) atoms. In the third Fe site, Fe(3) is bonded in a 11-coordinate geometry to one Fe(2), two equivalent Fe(4), two equivalent Ga(2), two equivalent Ga(3), and four equivalent Ga(4) atoms. In the fourth Fe site, Fe(4) is bonded in a 9-coordinate geometry to one Fe(1), one Fe(3), one Ga(2), one Ga(4), two equivalent Ga(1), and three equivalent Ga(3) atoms. There are four inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 6-coordinate geometry to one Fe(1), one Fe(2), four equivalent Fe(4), and four equivalent Ga(3) atoms. In the second Ga site, Ga(2) is bonded in a 10-coordinate geometry to one Fe(1), two equivalent Fe(3), two equivalent Fe(4), one Ga(2), two equivalent Ga(3), and two equivalent Ga(4) atoms. In the third Ga site, Ga(3) is bonded in a 13-coordinate geometry to one Fe(1), one Fe(2), one Fe(3), three equivalent Fe(4), one Ga(2), two equivalent Ga(1), two equivalent Ga(3), and two equivalent Ga(4) atoms. In the fourth Ga site, Ga(4) is bonded in a 6-coordinate geometry to one Fe(4), two equivalent Fe(2), two equivalent Fe(3), one Ga(2), one Ga(4), and two equivalent Ga(3) atoms. is represented by the CIF card [CIF]
data_Ga4Fe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.326
_cell_length_b   6.326
_cell_length_c   7.841
_cell_angle_alpha   77.237
_cell_angle_beta   77.237
_cell_angle_gamma   74.592
_symmetry_Int_Tables_number   1
_cell_volume   290.573
_cell_formula_units_Z   3
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
  Ga  Ga0  1  0.270  0.270  0.917  1.0
  Ga  Ga1  1  0.730  0.730  0.083  1.0
  Ga  Ga2  1  0.041  0.041  0.653  1.0
  Ga  Ga3  1  0.959  0.959  0.347  1.0
  Ga  Ga4  1  0.404  0.811  0.849  1.0
  Ga  Ga5  1  0.811  0.404  0.849  1.0
  Ga  Ga6  1  0.596  0.189  0.151  1.0
  Ga  Ga7  1  0.189  0.596  0.151  1.0
  Ga  Ga8  1  0.166  0.538  0.551  1.0
  Ga  Ga9  1  0.538  0.166  0.551  1.0
  Ga  Ga10  1  0.834  0.462  0.449  1.0
  Ga  Ga11  1  0.462  0.834  0.449  1.0
  Fe  Fe12  1  0.000  0.000  0.000  1.0
  Fe  Fe13  1  0.495  0.495  0.689  1.0
  Fe  Fe14  1  0.505  0.505  0.311  1.0
  Fe  Fe15  1  0.224  0.224  0.359  1.0
  Fe  Fe16  1  0.776  0.776  0.641  1.0
  Fe  Fe17  1  0.934  0.338  0.152  1.0
  Fe  Fe18  1  0.338  0.934  0.152  1.0
  Fe  Fe19  1  0.066  0.662  0.848  1.0
  Fe  Fe20  1  0.662  0.066  0.848  1.0
[/CIF]
.