The compound described by YNi2Ga3 crystallizes in the orthorhombic Cmmm space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a 18-coordinate geometry to four equivalent Ni(1), eight equivalent Ni(2), two equivalent Ga(1), and four equivalent Ga(2) atoms. In the second Y site, Y(2) is bonded in a 18-coordinate geometry to two equivalent Ni(1), four equivalent Ni(2), two equivalent Ga(1), two equivalent Ga(3), four equivalent Ga(2), and four equivalent Ga(4) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 12-coordinate geometry to two equivalent Y(1), two equivalent Y(2), two equivalent Ni(2), two equivalent Ga(3), and four equivalent Ga(2) atoms. In the second Ni site, Ni(2) is bonded in a 12-coordinate geometry to two equivalent Y(1), two equivalent Y(2), one Ni(1), one Ni(2), two equivalent Ga(1), 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 9-coordinate geometry to one Y(1), two equivalent Y(2), four equivalent Ni(2), and two equivalent Ga(4) atoms. In the second Ga site, Ga(2) is bonded in a 9-coordinate geometry to one Y(1), two equivalent Y(2), two equivalent Ni(1), two equivalent Ni(2), one Ga(3), and one Ga(4) atom. In the third Ga site, Ga(3) is bonded to four equivalent Y(2), four equivalent Ni(1), and four equivalent Ga(2) atoms to form a mixture of corner and face-sharing GaY4Ga4Ni4 cuboctahedra. In the fourth Ga site, Ga(4) is bonded to four equivalent Y(2), four equivalent Ni(2), two equivalent Ga(1), and two equivalent Ga(2) atoms to form a mixture of corner and face-sharing GaY4Ga4Ni4 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_YGa3Ni2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.804
_cell_length_b   9.358
_cell_length_c   9.364
_cell_angle_alpha   119.980
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   288.707
_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  0.500  0.500  0.000  1.0
  Y  Y1  1  0.000  0.833  0.666  1.0
  Y  Y2  1  0.000  0.167  0.334  1.0
  Ga  Ga3  1  0.500  0.684  0.369  1.0
  Ga  Ga4  1  0.500  0.132  0.816  1.0
  Ga  Ga5  1  0.500  0.684  0.816  1.0
  Ga  Ga6  1  0.500  0.316  0.631  1.0
  Ga  Ga7  1  0.500  0.316  0.184  1.0
  Ga  Ga8  1  0.500  0.868  0.184  1.0
  Ga  Ga9  1  0.500  0.000  0.000  1.0
  Ga  Ga10  1  0.500  0.500  0.500  1.0
  Ga  Ga11  1  0.500  0.000  0.500  1.0
  Ni  Ni12  1  0.000  0.211  0.000  1.0
  Ni  Ni13  1  0.000  0.500  0.712  1.0
  Ni  Ni14  1  0.000  0.788  0.288  1.0
  Ni  Ni15  1  0.000  0.789  0.000  1.0
  Ni  Ni16  1  0.000  0.500  0.288  1.0
  Ni  Ni17  1  0.000  0.212  0.712  1.0
[/CIF]
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The compound described by YNi2Ga3 crystallizes in the orthorhombic Cmmm space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a 18-coordinate geometry to four equivalent Ni(1), eight equivalent Ni(2), two equivalent Ga(1), and four equivalent Ga(2) atoms. In the second Y site, Y(2) is bonded in a 18-coordinate geometry to two equivalent Ni(1), four equivalent Ni(2), two equivalent Ga(1), two equivalent Ga(3), four equivalent Ga(2), and four equivalent Ga(4) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 12-coordinate geometry to two equivalent Y(1), two equivalent Y(2), two equivalent Ni(2), two equivalent Ga(3), and four equivalent Ga(2) atoms. In the second Ni site, Ni(2) is bonded in a 12-coordinate geometry to two equivalent Y(1), two equivalent Y(2), one Ni(1), one Ni(2), two equivalent Ga(1), 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 9-coordinate geometry to one Y(1), two equivalent Y(2), four equivalent Ni(2), and two equivalent Ga(4) atoms. In the second Ga site, Ga(2) is bonded in a 9-coordinate geometry to one Y(1), two equivalent Y(2), two equivalent Ni(1), two equivalent Ni(2), one Ga(3), and one Ga(4) atom. In the third Ga site, Ga(3) is bonded to four equivalent Y(2), four equivalent Ni(1), and four equivalent Ga(2) atoms to form a mixture of corner and face-sharing GaY4Ga4Ni4 cuboctahedra. In the fourth Ga site, Ga(4) is bonded to four equivalent Y(2), four equivalent Ni(2), two equivalent Ga(1), and two equivalent Ga(2) atoms to form a mixture of corner and face-sharing GaY4Ga4Ni4 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_YGa3Ni2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.804
_cell_length_b   9.358
_cell_length_c   9.364
_cell_angle_alpha   119.980
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   288.707
_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  0.500  0.500  0.000  1.0
  Y  Y1  1  0.000  0.833  0.666  1.0
  Y  Y2  1  0.000  0.167  0.334  1.0
  Ga  Ga3  1  0.500  0.684  0.369  1.0
  Ga  Ga4  1  0.500  0.132  0.816  1.0
  Ga  Ga5  1  0.500  0.684  0.816  1.0
  Ga  Ga6  1  0.500  0.316  0.631  1.0
  Ga  Ga7  1  0.500  0.316  0.184  1.0
  Ga  Ga8  1  0.500  0.868  0.184  1.0
  Ga  Ga9  1  0.500  0.000  0.000  1.0
  Ga  Ga10  1  0.500  0.500  0.500  1.0
  Ga  Ga11  1  0.500  0.000  0.500  1.0
  Ni  Ni12  1  0.000  0.211  0.000  1.0
  Ni  Ni13  1  0.000  0.500  0.712  1.0
  Ni  Ni14  1  0.000  0.788  0.288  1.0
  Ni  Ni15  1  0.000  0.789  0.000  1.0
  Ni  Ni16  1  0.000  0.500  0.288  1.0
  Ni  Ni17  1  0.000  0.212  0.712  1.0
[/CIF]
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