The compound described by Y3Co3Ga crystallizes in the orthorhombic Cmcm space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a 9-coordinate geometry to three equivalent Co(1), four equivalent Co(2), and two equivalent Ga(1) atoms. In the second Y site, Y(2) is bonded in a 9-coordinate geometry to two equivalent Co(1), four equivalent Co(2), and three equivalent Ga(1) atoms. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a 9-coordinate geometry to three equivalent Y(1), four equivalent Y(2), and two equivalent Co(2) atoms. In the second Co site, Co(2) is bonded in a 9-coordinate geometry to two equivalent Y(1), four equivalent Y(2), one Co(1), and two equivalent Ga(1) atoms. Ga(1) is bonded to two equivalent Y(1), six equivalent Y(2), and four equivalent Co(2) atoms to form a mixture of edge, corner, and face-sharing GaY8Co4 cuboctahedra. is represented by the CIF file [CIF]
data_Y3GaCo3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.394
_cell_length_b   5.394
_cell_length_c   12.895
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   134.994
_symmetry_Int_Tables_number   1
_cell_volume   265.277
_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
  Y  Y0  1  0.000  1.000  0.250  1.0
  Y  Y1  1  1.000  0.000  0.750  1.0
  Y  Y2  1  0.708  0.292  0.603  1.0
  Y  Y3  1  0.292  0.708  0.397  1.0
  Y  Y4  1  0.292  0.708  0.103  1.0
  Y  Y5  1  0.708  0.292  0.897  1.0
  Ga  Ga6  1  0.000  0.000  0.000  1.0
  Ga  Ga7  1  0.000  0.000  0.500  1.0
  Co  Co8  1  0.697  0.303  0.250  1.0
  Co  Co9  1  0.303  0.697  0.750  1.0
  Co  Co10  1  0.418  0.582  0.596  1.0
  Co  Co11  1  0.582  0.418  0.404  1.0
  Co  Co12  1  0.582  0.418  0.096  1.0
  Co  Co13  1  0.418  0.582  0.904  1.0
[/CIF]
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The compound described by Y3Co3Ga crystallizes in the orthorhombic Cmcm space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a 9-coordinate geometry to three equivalent Co(1), four equivalent Co(2), and two equivalent Ga(1) atoms. In the second Y site, Y(2) is bonded in a 9-coordinate geometry to two equivalent Co(1), four equivalent Co(2), and three equivalent Ga(1) atoms. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a 9-coordinate geometry to three equivalent Y(1), four equivalent Y(2), and two equivalent Co(2) atoms. In the second Co site, Co(2) is bonded in a 9-coordinate geometry to two equivalent Y(1), four equivalent Y(2), one Co(1), and two equivalent Ga(1) atoms. Ga(1) is bonded to two equivalent Y(1), six equivalent Y(2), and four equivalent Co(2) atoms to form a mixture of edge, corner, and face-sharing GaY8Co4 cuboctahedra. is represented by the CIF file [CIF]
data_Y3GaCo3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.394
_cell_length_b   5.394
_cell_length_c   12.895
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   134.994
_symmetry_Int_Tables_number   1
_cell_volume   265.277
_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
  Y  Y0  1  0.000  1.000  0.250  1.0
  Y  Y1  1  1.000  0.000  0.750  1.0
  Y  Y2  1  0.708  0.292  0.603  1.0
  Y  Y3  1  0.292  0.708  0.397  1.0
  Y  Y4  1  0.292  0.708  0.103  1.0
  Y  Y5  1  0.708  0.292  0.897  1.0
  Ga  Ga6  1  0.000  0.000  0.000  1.0
  Ga  Ga7  1  0.000  0.000  0.500  1.0
  Co  Co8  1  0.697  0.303  0.250  1.0
  Co  Co9  1  0.303  0.697  0.750  1.0
  Co  Co10  1  0.418  0.582  0.596  1.0
  Co  Co11  1  0.582  0.418  0.404  1.0
  Co  Co12  1  0.582  0.418  0.096  1.0
  Co  Co13  1  0.418  0.582  0.904  1.0
[/CIF]
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