The compound described by Nd5Ga3 crystallizes in the tetragonal I4/mcm space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 6-coordinate geometry to two equivalent Ga(1) and four equivalent Ga(2) atoms. In the second Nd site, Nd(2) is bonded to two equivalent Ga(1) and three equivalent Ga(2) atoms to form a mixture of distorted face, corner, and edge-sharing NdGa5 trigonal bipyramids. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 10-coordinate geometry to two equivalent Nd(1) and eight equivalent Nd(2) atoms. In the second Ga site, Ga(2) is bonded in a 9-coordinate geometry to two equivalent Nd(1), six equivalent Nd(2), and one Ga(2) atom. is represented by the CIF card [CIF]
data_Nd5Ga3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.165
_cell_length_b   9.165
_cell_length_c   9.165
_cell_angle_alpha   129.097
_cell_angle_beta   129.097
_cell_angle_gamma   74.855
_symmetry_Int_Tables_number   1
_cell_volume   451.564
_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  0.500  0.500  0.000  1.0
  Nd  Nd1  1  0.000  0.000  0.000  1.0
  Nd  Nd2  1  0.526  0.026  0.849  1.0
  Nd  Nd3  1  0.177  0.677  0.151  1.0
  Nd  Nd4  1  0.026  0.177  0.500  1.0
  Nd  Nd5  1  0.677  0.526  0.500  1.0
  Nd  Nd6  1  0.474  0.974  0.151  1.0
  Nd  Nd7  1  0.823  0.323  0.849  1.0
  Nd  Nd8  1  0.974  0.823  0.500  1.0
  Nd  Nd9  1  0.323  0.474  0.500  1.0
  Ga  Ga10  1  0.250  0.250  0.000  1.0
  Ga  Ga11  1  0.750  0.750  0.000  1.0
  Ga  Ga12  1  0.884  0.384  0.268  1.0
  Ga  Ga13  1  0.116  0.616  0.732  1.0
  Ga  Ga14  1  0.384  0.116  0.500  1.0
  Ga  Ga15  1  0.616  0.884  0.500  1.0
[/CIF]
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The compound described by Nd5Ga3 crystallizes in the tetragonal I4/mcm space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 6-coordinate geometry to two equivalent Ga(1) and four equivalent Ga(2) atoms. In the second Nd site, Nd(2) is bonded to two equivalent Ga(1) and three equivalent Ga(2) atoms to form a mixture of distorted face, corner, and edge-sharing NdGa5 trigonal bipyramids. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 10-coordinate geometry to two equivalent Nd(1) and eight equivalent Nd(2) atoms. In the second Ga site, Ga(2) is bonded in a 9-coordinate geometry to two equivalent Nd(1), six equivalent Nd(2), and one Ga(2) atom. is represented by the CIF card [CIF]
data_Nd5Ga3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.165
_cell_length_b   9.165
_cell_length_c   9.165
_cell_angle_alpha   129.097
_cell_angle_beta   129.097
_cell_angle_gamma   74.855
_symmetry_Int_Tables_number   1
_cell_volume   451.564
_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  0.500  0.500  0.000  1.0
  Nd  Nd1  1  0.000  0.000  0.000  1.0
  Nd  Nd2  1  0.526  0.026  0.849  1.0
  Nd  Nd3  1  0.177  0.677  0.151  1.0
  Nd  Nd4  1  0.026  0.177  0.500  1.0
  Nd  Nd5  1  0.677  0.526  0.500  1.0
  Nd  Nd6  1  0.474  0.974  0.151  1.0
  Nd  Nd7  1  0.823  0.323  0.849  1.0
  Nd  Nd8  1  0.974  0.823  0.500  1.0
  Nd  Nd9  1  0.323  0.474  0.500  1.0
  Ga  Ga10  1  0.250  0.250  0.000  1.0
  Ga  Ga11  1  0.750  0.750  0.000  1.0
  Ga  Ga12  1  0.884  0.384  0.268  1.0
  Ga  Ga13  1  0.116  0.616  0.732  1.0
  Ga  Ga14  1  0.384  0.116  0.500  1.0
  Ga  Ga15  1  0.616  0.884  0.500  1.0
[/CIF]
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