The crystal structure described by Fe6Ga5 is Bergman Structure: Mg32(Al,Zn)49 Bergman-derived structured and crystallizes in the monoclinic C2/m space group. There are five inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 11-coordinate geometry to one Fe(1), four equivalent Fe(5), one Ga(1), one Ga(4), and four equivalent Ga(2) atoms. In the second Fe site, Fe(2) is bonded in a 13-coordinate geometry to two equivalent Fe(3), two equivalent Fe(4), two equivalent Fe(5), one Ga(3), two equivalent Ga(1), two equivalent Ga(2), and two equivalent Ga(4) atoms. In the third Fe site, Fe(3) is bonded to two equivalent Fe(2), two equivalent Fe(4), two equivalent Fe(5), two equivalent Ga(1), two equivalent Ga(2), and two equivalent Ga(3) atoms to form a mixture of face and corner-sharing FeGa6Fe6 cuboctahedra. In the fourth Fe site, Fe(4) is bonded in a 12-coordinate geometry to two equivalent Fe(2), two equivalent Fe(3), two equivalent Fe(5), two equivalent Ga(1), two equivalent Ga(2), and two equivalent Ga(3) atoms. In the fifth Fe site, Fe(5) is bonded in a 12-coordinate geometry to one Fe(2), one Fe(3), one Fe(4), one Fe(5), two equivalent Fe(1), one Ga(1), one Ga(3), two equivalent Ga(2), and two equivalent Ga(4) atoms. There are four inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 10-coordinate geometry to one Fe(1), two equivalent Fe(2), two equivalent Fe(3), two equivalent Fe(4), two equivalent Fe(5), and one Ga(4) atom. In the second Ga site, Ga(2) is bonded in a 7-coordinate geometry to one Fe(2), one Fe(3), one Fe(4), two equivalent Fe(1), two equivalent Fe(5), and one Ga(4) atom. In the third Ga site, Ga(3) is bonded in a 8-coordinate geometry to one Fe(2), two equivalent Fe(3), two equivalent Fe(4), two equivalent Fe(5), and one Ga(3) atom. In the fourth Ga site, Ga(4) is bonded in a 11-coordinate geometry to one Fe(1), two equivalent Fe(2), four equivalent Fe(5), one Ga(1), one Ga(4), and two equivalent Ga(2) atoms. is represented by the CIF card [CIF]
data_Ga5Fe6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.393
_cell_length_b   6.393
_cell_length_c   7.689
_cell_angle_alpha   75.662
_cell_angle_beta   75.662
_cell_angle_gamma   76.523
_symmetry_Int_Tables_number   1
_cell_volume   289.998
_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
  Ga  Ga0  1  0.322  0.322  0.655  1.0
  Ga  Ga1  1  0.842  0.235  0.795  1.0
  Ga  Ga2  1  0.131  0.131  0.401  1.0
  Ga  Ga3  1  0.158  0.765  0.205  1.0
  Ga  Ga4  1  0.235  0.842  0.795  1.0
  Ga  Ga5  1  0.623  0.623  0.020  1.0
  Ga  Ga6  1  0.678  0.678  0.345  1.0
  Ga  Ga7  1  0.765  0.158  0.205  1.0
  Ga  Ga8  1  0.869  0.869  0.599  1.0
  Ga  Ga9  1  0.377  0.377  0.980  1.0
  Fe  Fe10  1  0.869  0.869  0.013  1.0
  Fe  Fe11  1  0.603  0.603  0.691  1.0
  Fe  Fe12  1  0.500  0.000  0.500  1.0
  Fe  Fe13  1  0.720  0.280  0.500  1.0
  Fe  Fe14  1  0.993  0.457  0.170  1.0
  Fe  Fe15  1  0.007  0.543  0.830  1.0
  Fe  Fe16  1  0.397  0.397  0.309  1.0
  Fe  Fe17  1  0.457  0.993  0.170  1.0
  Fe  Fe18  1  0.131  0.131  0.987  1.0
  Fe  Fe19  1  0.280  0.720  0.500  1.0
  Fe  Fe20  1  0.543  0.007  0.830  1.0
  Fe  Fe21  1  0.000  0.500  0.500  1.0
[/CIF]
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The crystal structure described by Fe6Ga5 is Bergman Structure: Mg32(Al,Zn)49 Bergman-derived structured and crystallizes in the monoclinic C2/m space group. There are five inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 11-coordinate geometry to one Fe(1), four equivalent Fe(5), one Ga(1), one Ga(4), and four equivalent Ga(2) atoms. In the second Fe site, Fe(2) is bonded in a 13-coordinate geometry to two equivalent Fe(3), two equivalent Fe(4), two equivalent Fe(5), one Ga(3), two equivalent Ga(1), two equivalent Ga(2), and two equivalent Ga(4) atoms. In the third Fe site, Fe(3) is bonded to two equivalent Fe(2), two equivalent Fe(4), two equivalent Fe(5), two equivalent Ga(1), two equivalent Ga(2), and two equivalent Ga(3) atoms to form a mixture of face and corner-sharing FeGa6Fe6 cuboctahedra. In the fourth Fe site, Fe(4) is bonded in a 12-coordinate geometry to two equivalent Fe(2), two equivalent Fe(3), two equivalent Fe(5), two equivalent Ga(1), two equivalent Ga(2), and two equivalent Ga(3) atoms. In the fifth Fe site, Fe(5) is bonded in a 12-coordinate geometry to one Fe(2), one Fe(3), one Fe(4), one Fe(5), two equivalent Fe(1), one Ga(1), one Ga(3), two equivalent Ga(2), and two equivalent Ga(4) atoms. There are four inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 10-coordinate geometry to one Fe(1), two equivalent Fe(2), two equivalent Fe(3), two equivalent Fe(4), two equivalent Fe(5), and one Ga(4) atom. In the second Ga site, Ga(2) is bonded in a 7-coordinate geometry to one Fe(2), one Fe(3), one Fe(4), two equivalent Fe(1), two equivalent Fe(5), and one Ga(4) atom. In the third Ga site, Ga(3) is bonded in a 8-coordinate geometry to one Fe(2), two equivalent Fe(3), two equivalent Fe(4), two equivalent Fe(5), and one Ga(3) atom. In the fourth Ga site, Ga(4) is bonded in a 11-coordinate geometry to one Fe(1), two equivalent Fe(2), four equivalent Fe(5), one Ga(1), one Ga(4), and two equivalent Ga(2) atoms. is represented by the CIF card [CIF]
data_Ga5Fe6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.393
_cell_length_b   6.393
_cell_length_c   7.689
_cell_angle_alpha   75.662
_cell_angle_beta   75.662
_cell_angle_gamma   76.523
_symmetry_Int_Tables_number   1
_cell_volume   289.998
_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
  Ga  Ga0  1  0.322  0.322  0.655  1.0
  Ga  Ga1  1  0.842  0.235  0.795  1.0
  Ga  Ga2  1  0.131  0.131  0.401  1.0
  Ga  Ga3  1  0.158  0.765  0.205  1.0
  Ga  Ga4  1  0.235  0.842  0.795  1.0
  Ga  Ga5  1  0.623  0.623  0.020  1.0
  Ga  Ga6  1  0.678  0.678  0.345  1.0
  Ga  Ga7  1  0.765  0.158  0.205  1.0
  Ga  Ga8  1  0.869  0.869  0.599  1.0
  Ga  Ga9  1  0.377  0.377  0.980  1.0
  Fe  Fe10  1  0.869  0.869  0.013  1.0
  Fe  Fe11  1  0.603  0.603  0.691  1.0
  Fe  Fe12  1  0.500  0.000  0.500  1.0
  Fe  Fe13  1  0.720  0.280  0.500  1.0
  Fe  Fe14  1  0.993  0.457  0.170  1.0
  Fe  Fe15  1  0.007  0.543  0.830  1.0
  Fe  Fe16  1  0.397  0.397  0.309  1.0
  Fe  Fe17  1  0.457  0.993  0.170  1.0
  Fe  Fe18  1  0.131  0.131  0.987  1.0
  Fe  Fe19  1  0.280  0.720  0.500  1.0
  Fe  Fe20  1  0.543  0.007  0.830  1.0
  Fe  Fe21  1  0.000  0.500  0.500  1.0
[/CIF]
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