The crystal structure described by YNi3Ga2 crystallizes in the hexagonal P6/mmm space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a hexagonal planar geometry to six equivalent Ni(1) atoms. In the second Y site, Y(2) is bonded in a 18-coordinate geometry to six equivalent Ni(1), six equivalent Ni(2), and six equivalent Ga(1) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 11-coordinate geometry to one Y(1), two equivalent Y(2), two equivalent Ni(1), two equivalent Ni(2), and four equivalent Ga(1) atoms. In the second Ni site, Ni(2) is bonded to four equivalent Y(2), four equivalent Ni(1), and four equivalent Ga(1) atoms to form a mixture of face and corner-sharing NiY4Ga4Ni4 cuboctahedra. Ga(1) is bonded in a 8-coordinate geometry to two equivalent Y(2), two equivalent Ni(2), and four equivalent Ni(1) atoms. is represented by the CIF file [CIF]
data_YGa2Ni3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.855
_cell_length_b   8.855
_cell_length_c   3.883
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   263.674
_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
  Y  Y0  1  0.000  0.000  0.000  1.0
  Y  Y1  1  0.333  0.667  0.500  1.0
  Y  Y2  1  0.667  0.333  0.500  1.0
  Ga  Ga3  1  0.316  0.316  0.500  1.0
  Ga  Ga4  1  0.684  0.000  0.500  1.0
  Ga  Ga5  1  0.684  0.684  0.500  1.0
  Ga  Ga6  1  0.000  0.316  0.500  1.0
  Ga  Ga7  1  0.000  0.684  0.500  1.0
  Ga  Ga8  1  0.316  0.000  0.500  1.0
  Ni  Ni9  1  0.180  0.360  0.000  1.0
  Ni  Ni10  1  0.820  0.640  0.000  1.0
  Ni  Ni11  1  0.180  0.820  0.000  1.0
  Ni  Ni12  1  0.640  0.820  0.000  1.0
  Ni  Ni13  1  0.360  0.180  0.000  1.0
  Ni  Ni14  1  0.820  0.180  0.000  1.0
  Ni  Ni15  1  0.500  0.000  0.000  1.0
  Ni  Ni16  1  0.000  0.500  0.000  1.0
  Ni  Ni17  1  0.500  0.500  0.000  1.0
[/CIF]
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The crystal structure described by YNi3Ga2 crystallizes in the hexagonal P6/mmm space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a hexagonal planar geometry to six equivalent Ni(1) atoms. In the second Y site, Y(2) is bonded in a 18-coordinate geometry to six equivalent Ni(1), six equivalent Ni(2), and six equivalent Ga(1) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 11-coordinate geometry to one Y(1), two equivalent Y(2), two equivalent Ni(1), two equivalent Ni(2), and four equivalent Ga(1) atoms. In the second Ni site, Ni(2) is bonded to four equivalent Y(2), four equivalent Ni(1), and four equivalent Ga(1) atoms to form a mixture of face and corner-sharing NiY4Ga4Ni4 cuboctahedra. Ga(1) is bonded in a 8-coordinate geometry to two equivalent Y(2), two equivalent Ni(2), and four equivalent Ni(1) atoms. is represented by the CIF file [CIF]
data_YGa2Ni3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.855
_cell_length_b   8.855
_cell_length_c   3.883
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   263.674
_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
  Y  Y0  1  0.000  0.000  0.000  1.0
  Y  Y1  1  0.333  0.667  0.500  1.0
  Y  Y2  1  0.667  0.333  0.500  1.0
  Ga  Ga3  1  0.316  0.316  0.500  1.0
  Ga  Ga4  1  0.684  0.000  0.500  1.0
  Ga  Ga5  1  0.684  0.684  0.500  1.0
  Ga  Ga6  1  0.000  0.316  0.500  1.0
  Ga  Ga7  1  0.000  0.684  0.500  1.0
  Ga  Ga8  1  0.316  0.000  0.500  1.0
  Ni  Ni9  1  0.180  0.360  0.000  1.0
  Ni  Ni10  1  0.820  0.640  0.000  1.0
  Ni  Ni11  1  0.180  0.820  0.000  1.0
  Ni  Ni12  1  0.640  0.820  0.000  1.0
  Ni  Ni13  1  0.360  0.180  0.000  1.0
  Ni  Ni14  1  0.820  0.180  0.000  1.0
  Ni  Ni15  1  0.500  0.000  0.000  1.0
  Ni  Ni16  1  0.000  0.500  0.000  1.0
  Ni  Ni17  1  0.500  0.500  0.000  1.0
[/CIF]
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