The compound described by NdCo4Ga crystallizes in the hexagonal P-6m2 space group. Nd(1) is bonded in a 18-coordinate geometry to three equivalent Co(1), twelve equivalent Co(2), and three equivalent Ga(1) atoms. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to three equivalent Nd(1), six equivalent Co(2), and three equivalent Ga(1) atoms to form distorted CoNd3Ga3Co6 cuboctahedra that share corners with nine equivalent Ga(1)Nd3Co9 cuboctahedra, corners with twelve equivalent Co(2)Nd4Ga2Co6 cuboctahedra, edges with six equivalent Co(1)Nd3Ga3Co6 cuboctahedra, faces with two equivalent Co(1)Nd3Ga3Co6 cuboctahedra, faces with three equivalent Ga(1)Nd3Co9 cuboctahedra, and faces with eighteen equivalent Co(2)Nd4Ga2Co6 cuboctahedra. In the second Co site, Co(2) is bonded to four equivalent Nd(1), two equivalent Co(1), four equivalent Co(2), and two equivalent Ga(1) atoms to form CoNd4Ga2Co6 cuboctahedra that share corners with four equivalent Co(1)Nd3Ga3Co6 cuboctahedra, corners with four equivalent Ga(1)Nd3Co9 cuboctahedra, corners with sixteen equivalent Co(2)Nd4Ga2Co6 cuboctahedra, edges with ten equivalent Co(2)Nd4Ga2Co6 cuboctahedra, faces with six equivalent Co(1)Nd3Ga3Co6 cuboctahedra, faces with six equivalent Ga(1)Nd3Co9 cuboctahedra, and faces with ten equivalent Co(2)Nd4Ga2Co6 cuboctahedra. Ga(1) is bonded to three equivalent Nd(1), three equivalent Co(1), and six equivalent Co(2) atoms to form distorted GaNd3Co9 cuboctahedra that share corners with nine equivalent Co(1)Nd3Ga3Co6 cuboctahedra, corners with twelve equivalent Co(2)Nd4Ga2Co6 cuboctahedra, edges with six equivalent Ga(1)Nd3Co9 cuboctahedra, faces with two equivalent Ga(1)Nd3Co9 cuboctahedra, faces with three equivalent Co(1)Nd3Ga3Co6 cuboctahedra, and faces with eighteen equivalent Co(2)Nd4Ga2Co6 cuboctahedra. is represented by the CIF card [CIF]
data_NdGaCo4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.140
_cell_length_b   5.140
_cell_length_c   3.881
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   88.806
_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  0.000  0.000  1.0
  Ga  Ga1  1  0.333  0.667  0.000  1.0
  Co  Co2  1  0.667  0.333  0.000  1.0
  Co  Co3  1  0.505  0.009  0.500  1.0
  Co  Co4  1  0.991  0.495  0.500  1.0
  Co  Co5  1  0.505  0.495  0.500  1.0
[/CIF]
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The compound described by NdCo4Ga crystallizes in the hexagonal P-6m2 space group. Nd(1) is bonded in a 18-coordinate geometry to three equivalent Co(1), twelve equivalent Co(2), and three equivalent Ga(1) atoms. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to three equivalent Nd(1), six equivalent Co(2), and three equivalent Ga(1) atoms to form distorted CoNd3Ga3Co6 cuboctahedra that share corners with nine equivalent Ga(1)Nd3Co9 cuboctahedra, corners with twelve equivalent Co(2)Nd4Ga2Co6 cuboctahedra, edges with six equivalent Co(1)Nd3Ga3Co6 cuboctahedra, faces with two equivalent Co(1)Nd3Ga3Co6 cuboctahedra, faces with three equivalent Ga(1)Nd3Co9 cuboctahedra, and faces with eighteen equivalent Co(2)Nd4Ga2Co6 cuboctahedra. In the second Co site, Co(2) is bonded to four equivalent Nd(1), two equivalent Co(1), four equivalent Co(2), and two equivalent Ga(1) atoms to form CoNd4Ga2Co6 cuboctahedra that share corners with four equivalent Co(1)Nd3Ga3Co6 cuboctahedra, corners with four equivalent Ga(1)Nd3Co9 cuboctahedra, corners with sixteen equivalent Co(2)Nd4Ga2Co6 cuboctahedra, edges with ten equivalent Co(2)Nd4Ga2Co6 cuboctahedra, faces with six equivalent Co(1)Nd3Ga3Co6 cuboctahedra, faces with six equivalent Ga(1)Nd3Co9 cuboctahedra, and faces with ten equivalent Co(2)Nd4Ga2Co6 cuboctahedra. Ga(1) is bonded to three equivalent Nd(1), three equivalent Co(1), and six equivalent Co(2) atoms to form distorted GaNd3Co9 cuboctahedra that share corners with nine equivalent Co(1)Nd3Ga3Co6 cuboctahedra, corners with twelve equivalent Co(2)Nd4Ga2Co6 cuboctahedra, edges with six equivalent Ga(1)Nd3Co9 cuboctahedra, faces with two equivalent Ga(1)Nd3Co9 cuboctahedra, faces with three equivalent Co(1)Nd3Ga3Co6 cuboctahedra, and faces with eighteen equivalent Co(2)Nd4Ga2Co6 cuboctahedra. is represented by the CIF card [CIF]
data_NdGaCo4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.140
_cell_length_b   5.140
_cell_length_c   3.881
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   88.806
_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  0.000  0.000  1.0
  Ga  Ga1  1  0.333  0.667  0.000  1.0
  Co  Co2  1  0.667  0.333  0.000  1.0
  Co  Co3  1  0.505  0.009  0.500  1.0
  Co  Co4  1  0.991  0.495  0.500  1.0
  Co  Co5  1  0.505  0.495  0.500  1.0
[/CIF]
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