The structure described by NdNiGa4 crystallizes in the orthorhombic Cmcm space group. Nd(1) is bonded in a 15-coordinate geometry to two equivalent Ni(1), three equivalent Ga(2), four equivalent Ga(1), and six equivalent Ga(3) atoms. Ni(1) is bonded in a 7-coordinate geometry to two equivalent Nd(1), one Ga(2), and six equivalent Ga(3) atoms. There are three inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 10-coordinate geometry to four equivalent Nd(1), two equivalent Ga(3), and four equivalent Ga(2) atoms. In the second Ga site, Ga(2) is bonded in a 2-coordinate geometry to three equivalent Nd(1), one Ni(1), four equivalent Ga(1), and four equivalent Ga(3) atoms. In the third Ga site, Ga(3) is bonded in a 12-coordinate geometry to three equivalent Nd(1), three equivalent Ni(1), one Ga(1), two equivalent Ga(2), and three equivalent Ga(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_NdGa4Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.134
_cell_length_b   6.535
_cell_length_c   8.062
_cell_angle_alpha   90.000
_cell_angle_beta   104.857
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   210.536
_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
  Nd  Nd0  1  0.885  0.750  0.771  1.0
  Nd  Nd1  1  0.115  0.250  0.229  1.0
  Ga  Ga2  1  0.500  0.500  1.000  1.0
  Ga  Ga3  1  0.500  0.000  1.000  1.0
  Ga  Ga4  1  0.075  0.750  0.150  1.0
  Ga  Ga5  1  0.925  0.250  0.850  1.0
  Ga  Ga6  1  0.690  0.553  0.380  1.0
  Ga  Ga7  1  0.310  0.447  0.620  1.0
  Ga  Ga8  1  0.690  0.947  0.380  1.0
  Ga  Ga9  1  0.310  0.053  0.620  1.0
  Ni  Ni10  1  0.223  0.750  0.447  1.0
  Ni  Ni11  1  0.777  0.250  0.553  1.0
[/CIF]
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The structure described by NdNiGa4 crystallizes in the orthorhombic Cmcm space group. Nd(1) is bonded in a 15-coordinate geometry to two equivalent Ni(1), three equivalent Ga(2), four equivalent Ga(1), and six equivalent Ga(3) atoms. Ni(1) is bonded in a 7-coordinate geometry to two equivalent Nd(1), one Ga(2), and six equivalent Ga(3) atoms. There are three inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 10-coordinate geometry to four equivalent Nd(1), two equivalent Ga(3), and four equivalent Ga(2) atoms. In the second Ga site, Ga(2) is bonded in a 2-coordinate geometry to three equivalent Nd(1), one Ni(1), four equivalent Ga(1), and four equivalent Ga(3) atoms. In the third Ga site, Ga(3) is bonded in a 12-coordinate geometry to three equivalent Nd(1), three equivalent Ni(1), one Ga(1), two equivalent Ga(2), and three equivalent Ga(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_NdGa4Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.134
_cell_length_b   6.535
_cell_length_c   8.062
_cell_angle_alpha   90.000
_cell_angle_beta   104.857
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   210.536
_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
  Nd  Nd0  1  0.885  0.750  0.771  1.0
  Nd  Nd1  1  0.115  0.250  0.229  1.0
  Ga  Ga2  1  0.500  0.500  1.000  1.0
  Ga  Ga3  1  0.500  0.000  1.000  1.0
  Ga  Ga4  1  0.075  0.750  0.150  1.0
  Ga  Ga5  1  0.925  0.250  0.850  1.0
  Ga  Ga6  1  0.690  0.553  0.380  1.0
  Ga  Ga7  1  0.310  0.447  0.620  1.0
  Ga  Ga8  1  0.690  0.947  0.380  1.0
  Ga  Ga9  1  0.310  0.053  0.620  1.0
  Ni  Ni10  1  0.223  0.750  0.447  1.0
  Ni  Ni11  1  0.777  0.250  0.553  1.0
[/CIF]
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