The structure described by CeNiGa crystallizes in the hexagonal P-62m space group. Ce(1) is bonded in a 11-coordinate geometry to one Ni(2), four equivalent Ni(1), and six equivalent Ga(1) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(2) is bonded in a distorted q6 geometry to three equivalent Ce(1) and six equivalent Ga(1) atoms. In the second Ni site, Ni(1) is bonded in a 9-coordinate geometry to six equivalent Ce(1) and three equivalent Ga(1) atoms. Ga(1) is bonded to six equivalent Ce(1), two equivalent Ni(1), two equivalent Ni(2), and two equivalent Ga(1) atoms to form a mixture of distorted edge, face, and corner-sharing GaCe6Ga2Ni4 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_CeGaNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.847
_cell_length_b   6.847
_cell_length_c   3.968
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.998
_symmetry_Int_Tables_number   1
_cell_volume   161.108
_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
  Ce  Ce0  1  0.000  0.577  0.500  1.0
  Ce  Ce1  1  0.423  0.423  0.500  1.0
  Ce  Ce2  1  0.577  1.000  0.500  1.0
  Ga  Ga3  1  0.235  1.000  0.000  1.0
  Ga  Ga4  1  0.765  0.765  0.000  1.0
  Ga  Ga5  1  0.000  0.235  0.000  1.0
  Ni  Ni6  1  0.667  0.333  0.000  1.0
  Ni  Ni7  1  0.333  0.667  0.000  1.0
  Ni  Ni8  1  0.000  1.000  0.500  1.0
[/CIF]
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The structure described by CeNiGa crystallizes in the hexagonal P-62m space group. Ce(1) is bonded in a 11-coordinate geometry to one Ni(2), four equivalent Ni(1), and six equivalent Ga(1) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(2) is bonded in a distorted q6 geometry to three equivalent Ce(1) and six equivalent Ga(1) atoms. In the second Ni site, Ni(1) is bonded in a 9-coordinate geometry to six equivalent Ce(1) and three equivalent Ga(1) atoms. Ga(1) is bonded to six equivalent Ce(1), two equivalent Ni(1), two equivalent Ni(2), and two equivalent Ga(1) atoms to form a mixture of distorted edge, face, and corner-sharing GaCe6Ga2Ni4 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_CeGaNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.847
_cell_length_b   6.847
_cell_length_c   3.968
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.998
_symmetry_Int_Tables_number   1
_cell_volume   161.108
_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
  Ce  Ce0  1  0.000  0.577  0.500  1.0
  Ce  Ce1  1  0.423  0.423  0.500  1.0
  Ce  Ce2  1  0.577  1.000  0.500  1.0
  Ga  Ga3  1  0.235  1.000  0.000  1.0
  Ga  Ga4  1  0.765  0.765  0.000  1.0
  Ga  Ga5  1  0.000  0.235  0.000  1.0
  Ni  Ni6  1  0.667  0.333  0.000  1.0
  Ni  Ni7  1  0.333  0.667  0.000  1.0
  Ni  Ni8  1  0.000  1.000  0.500  1.0
[/CIF]
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