The material structure described by CeNiGa6 crystallizes in the tetragonal P4/mmm space group. Ce(1) is bonded in a 16-coordinate geometry to eight equivalent Ga(1) and eight equivalent Ga(2) atoms. Ni(1) is bonded in a body-centered cubic geometry to eight equivalent Ga(2) atoms. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 9-coordinate geometry to four equivalent Ce(1), one Ga(1), and four equivalent Ga(2) atoms. In the second Ga site, Ga(2) is bonded in a 11-coordinate geometry to two equivalent Ce(1), two equivalent Ni(1), two equivalent Ga(1), and five equivalent Ga(2) atoms. is represented by the CIF card [CIF]
data_CeGa6Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.228
_cell_length_b   4.228
_cell_length_c   7.792
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   139.295
_cell_formula_units_Z   1
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  0.000  0.500  1.0
  Ga  Ga1  1  0.500  0.500  0.349  1.0
  Ga  Ga2  1  0.500  0.500  0.651  1.0
  Ga  Ga3  1  0.500  0.000  0.165  1.0
  Ga  Ga4  1  0.000  0.500  0.165  1.0
  Ga  Ga5  1  0.500  0.000  0.835  1.0
  Ga  Ga6  1  0.000  0.500  0.835  1.0
  Ni  Ni7  1  0.000  0.000  0.000  1.0
[/CIF]
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The material structure described by CeNiGa6 crystallizes in the tetragonal P4/mmm space group. Ce(1) is bonded in a 16-coordinate geometry to eight equivalent Ga(1) and eight equivalent Ga(2) atoms. Ni(1) is bonded in a body-centered cubic geometry to eight equivalent Ga(2) atoms. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 9-coordinate geometry to four equivalent Ce(1), one Ga(1), and four equivalent Ga(2) atoms. In the second Ga site, Ga(2) is bonded in a 11-coordinate geometry to two equivalent Ce(1), two equivalent Ni(1), two equivalent Ga(1), and five equivalent Ga(2) atoms. is represented by the CIF card [CIF]
data_CeGa6Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.228
_cell_length_b   4.228
_cell_length_c   7.792
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   139.295
_cell_formula_units_Z   1
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  0.000  0.500  1.0
  Ga  Ga1  1  0.500  0.500  0.349  1.0
  Ga  Ga2  1  0.500  0.500  0.651  1.0
  Ga  Ga3  1  0.500  0.000  0.165  1.0
  Ga  Ga4  1  0.000  0.500  0.165  1.0
  Ga  Ga5  1  0.500  0.000  0.835  1.0
  Ga  Ga6  1  0.000  0.500  0.835  1.0
  Ni  Ni7  1  0.000  0.000  0.000  1.0
[/CIF]
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