The structure described by Nd4NiGa18 crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 16-coordinate geometry to four equivalent Ga(3), four equivalent Ga(5), four equivalent Ga(6), and four equivalent Ga(7) atoms. In the second Nd site, Nd(2) is bonded in a 16-coordinate geometry to four equivalent Ga(1), four equivalent Ga(2), four equivalent Ga(3), and four equivalent Ga(4) atoms. Ni(1) is bonded in a body-centered cubic geometry to eight equivalent Ga(2) atoms. There are seven inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 9-coordinate geometry to four equivalent Nd(2), one Ga(4), and four equivalent Ga(3) atoms. In the second Ga site, Ga(2) is bonded in a 7-coordinate geometry to two equivalent Nd(2), two equivalent Ni(1), one Ga(2), and two equivalent Ga(4) atoms. In the third Ga site, Ga(3) is bonded in a 8-coordinate geometry to two equivalent Nd(1), two equivalent Nd(2), two equivalent Ga(1), and two equivalent Ga(5) atoms. In the fourth Ga site, Ga(4) is bonded in a 9-coordinate geometry to four equivalent Nd(2), one Ga(1), and four equivalent Ga(2) atoms. In the fifth Ga site, Ga(5) is bonded in a 9-coordinate geometry to four equivalent Nd(1), one Ga(6), and four equivalent Ga(3) atoms. In the sixth Ga site, Ga(6) is bonded in a 9-coordinate geometry to four equivalent Nd(1), one Ga(5), and four equivalent Ga(7) atoms. In the seventh Ga site, Ga(7) is bonded in a 8-coordinate geometry to four equivalent Nd(1) and four equivalent Ga(6) atoms. is represented by the CIF card [CIF]
data_Nd4Ga18Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   23.941
_cell_length_b   23.941
_cell_length_c   23.941
_cell_angle_alpha   169.444
_cell_angle_beta   169.444
_cell_angle_gamma   14.950
_symmetry_Int_Tables_number   1
_cell_volume   460.497
_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
  Nd  Nd0  1  0.306  0.306  0.000  1.0
  Nd  Nd1  1  0.694  0.694  0.000  1.0
  Nd  Nd2  1  0.079  0.079  0.000  1.0
  Nd  Nd3  1  0.921  0.921  0.000  1.0
  Ga  Ga4  1  0.390  0.390  0.000  1.0
  Ga  Ga5  1  0.610  0.610  0.000  1.0
  Ga  Ga6  1  0.527  0.027  0.500  1.0
  Ga  Ga7  1  0.473  0.973  0.500  1.0
  Ga  Ga8  1  0.027  0.527  0.500  1.0
  Ga  Ga9  1  0.973  0.473  0.500  1.0
  Ga  Ga10  1  0.639  0.139  0.500  1.0
  Ga  Ga11  1  0.361  0.861  0.500  1.0
  Ga  Ga12  1  0.139  0.639  0.500  1.0
  Ga  Ga13  1  0.861  0.361  0.500  1.0
  Ga  Ga14  1  0.442  0.442  0.000  1.0
  Ga  Ga15  1  0.558  0.558  0.000  1.0
  Ga  Ga16  1  0.169  0.169  0.000  1.0
  Ga  Ga17  1  0.831  0.831  0.000  1.0
  Ga  Ga18  1  0.221  0.221  0.000  1.0
  Ga  Ga19  1  0.779  0.779  0.000  1.0
  Ga  Ga20  1  0.750  0.250  0.500  1.0
  Ga  Ga21  1  0.250  0.750  0.500  1.0
  Ni  Ni22  1  0.000  0.000  0.000  1.0
[/CIF]
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The structure described by Nd4NiGa18 crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 16-coordinate geometry to four equivalent Ga(3), four equivalent Ga(5), four equivalent Ga(6), and four equivalent Ga(7) atoms. In the second Nd site, Nd(2) is bonded in a 16-coordinate geometry to four equivalent Ga(1), four equivalent Ga(2), four equivalent Ga(3), and four equivalent Ga(4) atoms. Ni(1) is bonded in a body-centered cubic geometry to eight equivalent Ga(2) atoms. There are seven inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 9-coordinate geometry to four equivalent Nd(2), one Ga(4), and four equivalent Ga(3) atoms. In the second Ga site, Ga(2) is bonded in a 7-coordinate geometry to two equivalent Nd(2), two equivalent Ni(1), one Ga(2), and two equivalent Ga(4) atoms. In the third Ga site, Ga(3) is bonded in a 8-coordinate geometry to two equivalent Nd(1), two equivalent Nd(2), two equivalent Ga(1), and two equivalent Ga(5) atoms. In the fourth Ga site, Ga(4) is bonded in a 9-coordinate geometry to four equivalent Nd(2), one Ga(1), and four equivalent Ga(2) atoms. In the fifth Ga site, Ga(5) is bonded in a 9-coordinate geometry to four equivalent Nd(1), one Ga(6), and four equivalent Ga(3) atoms. In the sixth Ga site, Ga(6) is bonded in a 9-coordinate geometry to four equivalent Nd(1), one Ga(5), and four equivalent Ga(7) atoms. In the seventh Ga site, Ga(7) is bonded in a 8-coordinate geometry to four equivalent Nd(1) and four equivalent Ga(6) atoms. is represented by the CIF card [CIF]
data_Nd4Ga18Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   23.941
_cell_length_b   23.941
_cell_length_c   23.941
_cell_angle_alpha   169.444
_cell_angle_beta   169.444
_cell_angle_gamma   14.950
_symmetry_Int_Tables_number   1
_cell_volume   460.497
_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
  Nd  Nd0  1  0.306  0.306  0.000  1.0
  Nd  Nd1  1  0.694  0.694  0.000  1.0
  Nd  Nd2  1  0.079  0.079  0.000  1.0
  Nd  Nd3  1  0.921  0.921  0.000  1.0
  Ga  Ga4  1  0.390  0.390  0.000  1.0
  Ga  Ga5  1  0.610  0.610  0.000  1.0
  Ga  Ga6  1  0.527  0.027  0.500  1.0
  Ga  Ga7  1  0.473  0.973  0.500  1.0
  Ga  Ga8  1  0.027  0.527  0.500  1.0
  Ga  Ga9  1  0.973  0.473  0.500  1.0
  Ga  Ga10  1  0.639  0.139  0.500  1.0
  Ga  Ga11  1  0.361  0.861  0.500  1.0
  Ga  Ga12  1  0.139  0.639  0.500  1.0
  Ga  Ga13  1  0.861  0.361  0.500  1.0
  Ga  Ga14  1  0.442  0.442  0.000  1.0
  Ga  Ga15  1  0.558  0.558  0.000  1.0
  Ga  Ga16  1  0.169  0.169  0.000  1.0
  Ga  Ga17  1  0.831  0.831  0.000  1.0
  Ga  Ga18  1  0.221  0.221  0.000  1.0
  Ga  Ga19  1  0.779  0.779  0.000  1.0
  Ga  Ga20  1  0.750  0.250  0.500  1.0
  Ga  Ga21  1  0.250  0.750  0.500  1.0
  Ni  Ni22  1  0.000  0.000  0.000  1.0
[/CIF]
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