The material described by Nd3Co3Ga crystallizes in the orthorhombic Cmcm space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 9-coordinate geometry to two equivalent Co(2), four equivalent Co(1), and three equivalent Ga(1) atoms. In the second Nd site, Nd(2) is bonded in a 9-coordinate geometry to three equivalent Co(2), four equivalent Co(1), and two equivalent Ga(1) atoms. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a 9-coordinate geometry to two equivalent Nd(2), four equivalent Nd(1), one Co(2), and two equivalent Ga(1) atoms. In the second Co site, Co(2) is bonded in a 9-coordinate geometry to three equivalent Nd(2), four equivalent Nd(1), and two equivalent Co(1) atoms. Ga(1) is bonded to two equivalent Nd(2), six equivalent Nd(1), and four equivalent Co(1) atoms to form a mixture of face, corner, and edge-sharing GaNd8Co4 cuboctahedra. is represented by the CIF file [CIF]
data_Nd3GaCo3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.558
_cell_length_b   5.558
_cell_length_c   13.169
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   135.457
_symmetry_Int_Tables_number   1
_cell_volume   285.318
_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  0.794  0.206  0.398  1.0
  Nd  Nd1  1  0.206  0.794  0.602  1.0
  Nd  Nd2  1  0.794  0.206  0.102  1.0
  Nd  Nd3  1  0.206  0.794  0.898  1.0
  Nd  Nd4  1  0.503  0.497  0.250  1.0
  Nd  Nd5  1  0.497  0.503  0.750  1.0
  Ga  Ga6  1  0.500  0.500  0.500  1.0
  Ga  Ga7  1  0.500  0.500  0.000  1.0
  Co  Co8  1  0.084  0.916  0.402  1.0
  Co  Co9  1  0.916  0.084  0.598  1.0
  Co  Co10  1  0.084  0.916  0.098  1.0
  Co  Co11  1  0.916  0.084  0.902  1.0
  Co  Co12  1  0.201  0.799  0.250  1.0
  Co  Co13  1  0.799  0.201  0.750  1.0
[/CIF]
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The material described by Nd3Co3Ga crystallizes in the orthorhombic Cmcm space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 9-coordinate geometry to two equivalent Co(2), four equivalent Co(1), and three equivalent Ga(1) atoms. In the second Nd site, Nd(2) is bonded in a 9-coordinate geometry to three equivalent Co(2), four equivalent Co(1), and two equivalent Ga(1) atoms. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a 9-coordinate geometry to two equivalent Nd(2), four equivalent Nd(1), one Co(2), and two equivalent Ga(1) atoms. In the second Co site, Co(2) is bonded in a 9-coordinate geometry to three equivalent Nd(2), four equivalent Nd(1), and two equivalent Co(1) atoms. Ga(1) is bonded to two equivalent Nd(2), six equivalent Nd(1), and four equivalent Co(1) atoms to form a mixture of face, corner, and edge-sharing GaNd8Co4 cuboctahedra. is represented by the CIF file [CIF]
data_Nd3GaCo3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.558
_cell_length_b   5.558
_cell_length_c   13.169
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   135.457
_symmetry_Int_Tables_number   1
_cell_volume   285.318
_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  0.794  0.206  0.398  1.0
  Nd  Nd1  1  0.206  0.794  0.602  1.0
  Nd  Nd2  1  0.794  0.206  0.102  1.0
  Nd  Nd3  1  0.206  0.794  0.898  1.0
  Nd  Nd4  1  0.503  0.497  0.250  1.0
  Nd  Nd5  1  0.497  0.503  0.750  1.0
  Ga  Ga6  1  0.500  0.500  0.500  1.0
  Ga  Ga7  1  0.500  0.500  0.000  1.0
  Co  Co8  1  0.084  0.916  0.402  1.0
  Co  Co9  1  0.916  0.084  0.598  1.0
  Co  Co10  1  0.084  0.916  0.098  1.0
  Co  Co11  1  0.916  0.084  0.902  1.0
  Co  Co12  1  0.201  0.799  0.250  1.0
  Co  Co13  1  0.799  0.201  0.750  1.0
[/CIF]
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