The material described by Nd3NiGa10 crystallizes in the orthorhombic Pmmm space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded to four equivalent Ga(2) and eight equivalent Ga(3) atoms to form a mixture of edge and face-sharing NdGa12 cuboctahedra. In the second Nd site, Nd(2) is bonded in a 14-coordinate geometry to two equivalent Ga(3), two equivalent Ga(4), two equivalent Ga(5), four equivalent Ga(1), and four equivalent Ga(2) atoms. Ni(1) is bonded in a body-centered cubic geometry to four equivalent Ga(4) and four equivalent Ga(5) atoms. There are five inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 9-coordinate geometry to four equivalent Nd(2), one Ga(2), two equivalent Ga(4), and two equivalent Ga(5) atoms. In the second Ga site, Ga(2) is bonded in a 9-coordinate geometry to two equivalent Nd(1), four equivalent Nd(2), one Ga(1), and two equivalent Ga(3) atoms. In the third Ga site, Ga(3) is bonded in a 9-coordinate geometry to two equivalent Nd(2), four equivalent Nd(1), one Ga(3), and two equivalent Ga(2) atoms. In the fourth Ga site, Ga(4) is bonded in a 7-coordinate geometry to two equivalent Nd(2), two equivalent Ni(1), one Ga(4), and two equivalent Ga(1) atoms. In the fifth Ga site, Ga(5) is bonded in a 7-coordinate geometry to two equivalent Nd(2), two equivalent Ni(1), one Ga(5), and two equivalent Ga(1) atoms. is represented by the CIF card [CIF]
data_Nd3Ga10Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.248
_cell_length_b   4.240
_cell_length_c   15.179
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   273.390
_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  0.000  0.500  0.500  1.0
  Nd  Nd1  1  0.000  0.000  0.249  1.0
  Nd  Nd2  1  0.000  0.000  0.751  1.0
  Ga  Ga3  1  0.500  0.500  0.183  1.0
  Ga  Ga4  1  0.500  0.500  0.817  1.0
  Ga  Ga5  1  0.500  0.500  0.342  1.0
  Ga  Ga6  1  0.500  0.500  0.658  1.0
  Ga  Ga7  1  0.500  0.000  0.420  1.0
  Ga  Ga8  1  0.500  0.000  0.580  1.0
  Ga  Ga9  1  0.500  0.000  0.084  1.0
  Ga  Ga10  1  0.500  0.000  0.916  1.0
  Ga  Ga11  1  0.000  0.500  0.084  1.0
  Ga  Ga12  1  0.000  0.500  0.916  1.0
  Ni  Ni13  1  0.000  0.000  0.000  1.0
[/CIF]
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The material described by Nd3NiGa10 crystallizes in the orthorhombic Pmmm space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded to four equivalent Ga(2) and eight equivalent Ga(3) atoms to form a mixture of edge and face-sharing NdGa12 cuboctahedra. In the second Nd site, Nd(2) is bonded in a 14-coordinate geometry to two equivalent Ga(3), two equivalent Ga(4), two equivalent Ga(5), four equivalent Ga(1), and four equivalent Ga(2) atoms. Ni(1) is bonded in a body-centered cubic geometry to four equivalent Ga(4) and four equivalent Ga(5) atoms. There are five inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 9-coordinate geometry to four equivalent Nd(2), one Ga(2), two equivalent Ga(4), and two equivalent Ga(5) atoms. In the second Ga site, Ga(2) is bonded in a 9-coordinate geometry to two equivalent Nd(1), four equivalent Nd(2), one Ga(1), and two equivalent Ga(3) atoms. In the third Ga site, Ga(3) is bonded in a 9-coordinate geometry to two equivalent Nd(2), four equivalent Nd(1), one Ga(3), and two equivalent Ga(2) atoms. In the fourth Ga site, Ga(4) is bonded in a 7-coordinate geometry to two equivalent Nd(2), two equivalent Ni(1), one Ga(4), and two equivalent Ga(1) atoms. In the fifth Ga site, Ga(5) is bonded in a 7-coordinate geometry to two equivalent Nd(2), two equivalent Ni(1), one Ga(5), and two equivalent Ga(1) atoms. is represented by the CIF card [CIF]
data_Nd3Ga10Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.248
_cell_length_b   4.240
_cell_length_c   15.179
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   273.390
_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  0.000  0.500  0.500  1.0
  Nd  Nd1  1  0.000  0.000  0.249  1.0
  Nd  Nd2  1  0.000  0.000  0.751  1.0
  Ga  Ga3  1  0.500  0.500  0.183  1.0
  Ga  Ga4  1  0.500  0.500  0.817  1.0
  Ga  Ga5  1  0.500  0.500  0.342  1.0
  Ga  Ga6  1  0.500  0.500  0.658  1.0
  Ga  Ga7  1  0.500  0.000  0.420  1.0
  Ga  Ga8  1  0.500  0.000  0.580  1.0
  Ga  Ga9  1  0.500  0.000  0.084  1.0
  Ga  Ga10  1  0.500  0.000  0.916  1.0
  Ga  Ga11  1  0.000  0.500  0.084  1.0
  Ga  Ga12  1  0.000  0.500  0.916  1.0
  Ni  Ni13  1  0.000  0.000  0.000  1.0
[/CIF]
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