The material described by Co3FeNb2 is Hexagonal Laves-derived structured and crystallizes in the hexagonal P6_3/mmc space group. Nb(1) is bonded in a 16-coordinate geometry to four equivalent Nb(1), three equivalent Fe(1), and nine equivalent Co(1) atoms. Fe(1) is bonded to six equivalent Nb(1) and six equivalent Co(1) atoms to form FeNb6Co6 cuboctahedra that share corners with twelve equivalent Co(1)Nb6Fe2Co4 cuboctahedra, edges with six equivalent Fe(1)Nb6Co6 cuboctahedra, faces with two equivalent Fe(1)Nb6Co6 cuboctahedra, and faces with eighteen equivalent Co(1)Nb6Fe2Co4 cuboctahedra. Co(1) is bonded to six equivalent Nb(1), two equivalent Fe(1), and four equivalent Co(1) atoms to form CoNb6Fe2Co4 cuboctahedra that share corners with four equivalent Fe(1)Nb6Co6 cuboctahedra, corners with fourteen equivalent Co(1)Nb6Fe2Co4 cuboctahedra, edges with six equivalent Co(1)Nb6Fe2Co4 cuboctahedra, faces with six equivalent Fe(1)Nb6Co6 cuboctahedra, and faces with twelve equivalent Co(1)Nb6Fe2Co4 cuboctahedra. is represented by the CIF file [CIF]
data_Nb2FeCo3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.802
_cell_length_b   4.802
_cell_length_c   7.681
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   153.379
_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
  Nb  Nb0  1  0.333  0.667  0.436  1.0
  Nb  Nb1  1  0.667  0.333  0.564  1.0
  Nb  Nb2  1  0.667  0.333  0.936  1.0
  Nb  Nb3  1  0.333  0.667  0.064  1.0
  Fe  Fe4  1  0.000  0.000  0.500  1.0
  Fe  Fe5  1  0.000  0.000  0.000  1.0
  Co  Co6  1  0.831  0.169  0.250  1.0
  Co  Co7  1  0.831  0.661  0.250  1.0
  Co  Co8  1  0.339  0.169  0.250  1.0
  Co  Co9  1  0.169  0.831  0.750  1.0
  Co  Co10  1  0.169  0.339  0.750  1.0
  Co  Co11  1  0.661  0.831  0.750  1.0
[/CIF]
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The material described by Co3FeNb2 is Hexagonal Laves-derived structured and crystallizes in the hexagonal P6_3/mmc space group. Nb(1) is bonded in a 16-coordinate geometry to four equivalent Nb(1), three equivalent Fe(1), and nine equivalent Co(1) atoms. Fe(1) is bonded to six equivalent Nb(1) and six equivalent Co(1) atoms to form FeNb6Co6 cuboctahedra that share corners with twelve equivalent Co(1)Nb6Fe2Co4 cuboctahedra, edges with six equivalent Fe(1)Nb6Co6 cuboctahedra, faces with two equivalent Fe(1)Nb6Co6 cuboctahedra, and faces with eighteen equivalent Co(1)Nb6Fe2Co4 cuboctahedra. Co(1) is bonded to six equivalent Nb(1), two equivalent Fe(1), and four equivalent Co(1) atoms to form CoNb6Fe2Co4 cuboctahedra that share corners with four equivalent Fe(1)Nb6Co6 cuboctahedra, corners with fourteen equivalent Co(1)Nb6Fe2Co4 cuboctahedra, edges with six equivalent Co(1)Nb6Fe2Co4 cuboctahedra, faces with six equivalent Fe(1)Nb6Co6 cuboctahedra, and faces with twelve equivalent Co(1)Nb6Fe2Co4 cuboctahedra. is represented by the CIF file [CIF]
data_Nb2FeCo3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.802
_cell_length_b   4.802
_cell_length_c   7.681
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   153.379
_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
  Nb  Nb0  1  0.333  0.667  0.436  1.0
  Nb  Nb1  1  0.667  0.333  0.564  1.0
  Nb  Nb2  1  0.667  0.333  0.936  1.0
  Nb  Nb3  1  0.333  0.667  0.064  1.0
  Fe  Fe4  1  0.000  0.000  0.500  1.0
  Fe  Fe5  1  0.000  0.000  0.000  1.0
  Co  Co6  1  0.831  0.169  0.250  1.0
  Co  Co7  1  0.831  0.661  0.250  1.0
  Co  Co8  1  0.339  0.169  0.250  1.0
  Co  Co9  1  0.169  0.831  0.750  1.0
  Co  Co10  1  0.169  0.339  0.750  1.0
  Co  Co11  1  0.661  0.831  0.750  1.0
[/CIF]
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