The crystal structure described by NdCo3Ga2 crystallizes in the hexagonal P6/mmm space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 18-coordinate geometry to six equivalent Co(1), six equivalent Co(2), and six equivalent Ga(1) atoms. In the second Nd site, Nd(2) is bonded in a 18-coordinate geometry to six equivalent Co(1) and twelve 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 one Nd(2), two equivalent Nd(1), two equivalent Co(2), and four equivalent Ga(1) atoms. In the second Co site, Co(2) is bonded to four equivalent Nd(1), four equivalent Co(1), and four equivalent Ga(1) atoms to form CoNd4Ga4Co4 cuboctahedra that share corners with eight equivalent Co(2)Nd4Ga4Co4 cuboctahedra, corners with eight equivalent Ga(1)Nd4Ga2Co6 cuboctahedra, edges with ten equivalent Ga(1)Nd4Ga2Co6 cuboctahedra, faces with four equivalent Ga(1)Nd4Ga2Co6 cuboctahedra, and faces with six equivalent Co(2)Nd4Ga4Co4 cuboctahedra. Ga(1) is bonded to two equivalent Nd(1), two equivalent Nd(2), two equivalent Co(2), four equivalent Co(1), and two equivalent Ga(1) atoms to form distorted GaNd4Ga2Co6 cuboctahedra that share corners with four equivalent Co(2)Nd4Ga4Co4 cuboctahedra, corners with twelve equivalent Ga(1)Nd4Ga2Co6 cuboctahedra, edges with five equivalent Co(2)Nd4Ga4Co4 cuboctahedra, edges with five equivalent Ga(1)Nd4Ga2Co6 cuboctahedra, faces with two equivalent Co(2)Nd4Ga4Co4 cuboctahedra, and faces with eight equivalent Ga(1)Nd4Ga2Co6 cuboctahedra. is represented by the CIF file [CIF]
data_NdGa2Co3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.964
_cell_length_b   8.964
_cell_length_c   3.979
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   276.890
_cell_formula_units_Z   3
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  0.333  0.667  0.000  1.0
  Nd  Nd1  1  0.000  0.000  0.000  1.0
  Nd  Nd2  1  0.667  0.333  0.000  1.0
  Ga  Ga3  1  0.174  0.826  0.500  1.0
  Ga  Ga4  1  0.174  0.348  0.500  1.0
  Ga  Ga5  1  0.652  0.826  0.500  1.0
  Ga  Ga6  1  0.826  0.174  0.500  1.0
  Ga  Ga7  1  0.348  0.174  0.500  1.0
  Ga  Ga8  1  0.826  0.652  0.500  1.0
  Co  Co9  1  0.344  0.000  0.000  1.0
  Co  Co10  1  0.000  0.344  0.000  1.0
  Co  Co11  1  0.656  0.656  0.000  1.0
  Co  Co12  1  0.000  0.656  0.000  1.0
  Co  Co13  1  0.344  0.344  0.000  1.0
  Co  Co14  1  0.656  0.000  0.000  1.0
  Co  Co15  1  0.500  0.500  0.500  1.0
  Co  Co16  1  0.500  0.000  0.500  1.0
  Co  Co17  1  0.000  0.500  0.500  1.0
[/CIF]
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The crystal structure described by NdCo3Ga2 crystallizes in the hexagonal P6/mmm space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 18-coordinate geometry to six equivalent Co(1), six equivalent Co(2), and six equivalent Ga(1) atoms. In the second Nd site, Nd(2) is bonded in a 18-coordinate geometry to six equivalent Co(1) and twelve 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 one Nd(2), two equivalent Nd(1), two equivalent Co(2), and four equivalent Ga(1) atoms. In the second Co site, Co(2) is bonded to four equivalent Nd(1), four equivalent Co(1), and four equivalent Ga(1) atoms to form CoNd4Ga4Co4 cuboctahedra that share corners with eight equivalent Co(2)Nd4Ga4Co4 cuboctahedra, corners with eight equivalent Ga(1)Nd4Ga2Co6 cuboctahedra, edges with ten equivalent Ga(1)Nd4Ga2Co6 cuboctahedra, faces with four equivalent Ga(1)Nd4Ga2Co6 cuboctahedra, and faces with six equivalent Co(2)Nd4Ga4Co4 cuboctahedra. Ga(1) is bonded to two equivalent Nd(1), two equivalent Nd(2), two equivalent Co(2), four equivalent Co(1), and two equivalent Ga(1) atoms to form distorted GaNd4Ga2Co6 cuboctahedra that share corners with four equivalent Co(2)Nd4Ga4Co4 cuboctahedra, corners with twelve equivalent Ga(1)Nd4Ga2Co6 cuboctahedra, edges with five equivalent Co(2)Nd4Ga4Co4 cuboctahedra, edges with five equivalent Ga(1)Nd4Ga2Co6 cuboctahedra, faces with two equivalent Co(2)Nd4Ga4Co4 cuboctahedra, and faces with eight equivalent Ga(1)Nd4Ga2Co6 cuboctahedra. is represented by the CIF file [CIF]
data_NdGa2Co3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.964
_cell_length_b   8.964
_cell_length_c   3.979
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   276.890
_cell_formula_units_Z   3
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  0.333  0.667  0.000  1.0
  Nd  Nd1  1  0.000  0.000  0.000  1.0
  Nd  Nd2  1  0.667  0.333  0.000  1.0
  Ga  Ga3  1  0.174  0.826  0.500  1.0
  Ga  Ga4  1  0.174  0.348  0.500  1.0
  Ga  Ga5  1  0.652  0.826  0.500  1.0
  Ga  Ga6  1  0.826  0.174  0.500  1.0
  Ga  Ga7  1  0.348  0.174  0.500  1.0
  Ga  Ga8  1  0.826  0.652  0.500  1.0
  Co  Co9  1  0.344  0.000  0.000  1.0
  Co  Co10  1  0.000  0.344  0.000  1.0
  Co  Co11  1  0.656  0.656  0.000  1.0
  Co  Co12  1  0.000  0.656  0.000  1.0
  Co  Co13  1  0.344  0.344  0.000  1.0
  Co  Co14  1  0.656  0.000  0.000  1.0
  Co  Co15  1  0.500  0.500  0.500  1.0
  Co  Co16  1  0.500  0.000  0.500  1.0
  Co  Co17  1  0.000  0.500  0.500  1.0
[/CIF]
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