The material structure described by GdGa6 crystallizes in the tetragonal P4/nbm space group. Gd(1) is bonded to four equivalent Ga(2) and eight equivalent Ga(1) atoms to form a mixture of face and edge-sharing GdGa12 cuboctahedra. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 9-coordinate geometry to four equivalent Gd(1), one Ga(1), and four equivalent Ga(2) atoms. In the second Ga site, Ga(2) is bonded in a 4-coordinate geometry to one Gd(1), one Ga(2), and two equivalent Ga(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_GdGa6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.942
_cell_length_b   5.942
_cell_length_c   7.551
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   266.616
_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
  Gd  Gd0  1  0.000  0.500  1.000  1.0
  Gd  Gd1  1  0.500  1.000  0.000  1.0
  Ga  Ga2  1  0.500  0.500  0.160  1.0
  Ga  Ga3  1  0.000  1.000  0.840  1.0
  Ga  Ga4  1  0.500  0.500  0.840  1.0
  Ga  Ga5  1  1.000  0.000  0.160  1.0
  Ga  Ga6  1  0.196  0.696  0.347  1.0
  Ga  Ga7  1  0.804  0.304  0.347  1.0
  Ga  Ga8  1  0.696  0.196  0.653  1.0
  Ga  Ga9  1  0.304  0.804  0.653  1.0
  Ga  Ga10  1  0.196  0.304  0.653  1.0
  Ga  Ga11  1  0.804  0.696  0.653  1.0
  Ga  Ga12  1  0.696  0.804  0.347  1.0
  Ga  Ga13  1  0.304  0.196  0.347  1.0
[/CIF]
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The material structure described by GdGa6 crystallizes in the tetragonal P4/nbm space group. Gd(1) is bonded to four equivalent Ga(2) and eight equivalent Ga(1) atoms to form a mixture of face and edge-sharing GdGa12 cuboctahedra. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 9-coordinate geometry to four equivalent Gd(1), one Ga(1), and four equivalent Ga(2) atoms. In the second Ga site, Ga(2) is bonded in a 4-coordinate geometry to one Gd(1), one Ga(2), and two equivalent Ga(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_GdGa6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.942
_cell_length_b   5.942
_cell_length_c   7.551
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   266.616
_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
  Gd  Gd0  1  0.000  0.500  1.000  1.0
  Gd  Gd1  1  0.500  1.000  0.000  1.0
  Ga  Ga2  1  0.500  0.500  0.160  1.0
  Ga  Ga3  1  0.000  1.000  0.840  1.0
  Ga  Ga4  1  0.500  0.500  0.840  1.0
  Ga  Ga5  1  1.000  0.000  0.160  1.0
  Ga  Ga6  1  0.196  0.696  0.347  1.0
  Ga  Ga7  1  0.804  0.304  0.347  1.0
  Ga  Ga8  1  0.696  0.196  0.653  1.0
  Ga  Ga9  1  0.304  0.804  0.653  1.0
  Ga  Ga10  1  0.196  0.304  0.653  1.0
  Ga  Ga11  1  0.804  0.696  0.653  1.0
  Ga  Ga12  1  0.696  0.804  0.347  1.0
  Ga  Ga13  1  0.304  0.196  0.347  1.0
[/CIF]
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