The material structure described by Nb4Co3Al5 crystallizes in the hexagonal P-6m2 space group. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a 3-coordinate geometry to three equivalent Nb(2), three equivalent Co(1), and six equivalent Al(1) atoms. In the second Nb site, Nb(2) is bonded in a 16-coordinate geometry to one Nb(2), three equivalent Nb(1), six equivalent Co(1), three equivalent Al(1), and three equivalent Al(2) atoms. Co(1) is bonded in a 12-coordinate geometry to two equivalent Nb(1), four equivalent Nb(2), four equivalent Co(1), and two equivalent Al(2) atoms. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded to two equivalent Nb(2), four equivalent Nb(1), two equivalent Al(2), and four equivalent Al(1) atoms to form a mixture of corner, edge, and face-sharing AlNb6Al6 cuboctahedra. In the second Al site, Al(2) is bonded in a 3-coordinate geometry to three equivalent Nb(2), three equivalent Co(1), and three equivalent Al(1) atoms. is represented by the CIF card [CIF]
data_Nb4Al5Co3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.050
_cell_length_b   5.050
_cell_length_c   7.991
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   176.523
_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
  Nb  Nb0  1  0.333  0.333  0.049  1.0
  Nb  Nb1  1  0.667  0.667  0.924  1.0
  Nb  Nb2  1  0.667  0.667  0.576  1.0
  Nb  Nb3  1  0.333  0.333  0.451  1.0
  Al  Al4  1  0.830  0.339  0.250  1.0
  Al  Al5  1  0.339  0.830  0.250  1.0
  Al  Al6  1  0.830  0.830  0.250  1.0
  Al  Al7  1  0.000  0.000  0.526  1.0
  Al  Al8  1  0.000  0.000  0.974  1.0
  Co  Co9  1  0.176  0.647  0.750  1.0
  Co  Co10  1  0.647  0.176  0.750  1.0
  Co  Co11  1  0.176  0.176  0.750  1.0
[/CIF]
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The material structure described by Nb4Co3Al5 crystallizes in the hexagonal P-6m2 space group. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a 3-coordinate geometry to three equivalent Nb(2), three equivalent Co(1), and six equivalent Al(1) atoms. In the second Nb site, Nb(2) is bonded in a 16-coordinate geometry to one Nb(2), three equivalent Nb(1), six equivalent Co(1), three equivalent Al(1), and three equivalent Al(2) atoms. Co(1) is bonded in a 12-coordinate geometry to two equivalent Nb(1), four equivalent Nb(2), four equivalent Co(1), and two equivalent Al(2) atoms. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded to two equivalent Nb(2), four equivalent Nb(1), two equivalent Al(2), and four equivalent Al(1) atoms to form a mixture of corner, edge, and face-sharing AlNb6Al6 cuboctahedra. In the second Al site, Al(2) is bonded in a 3-coordinate geometry to three equivalent Nb(2), three equivalent Co(1), and three equivalent Al(1) atoms. is represented by the CIF card [CIF]
data_Nb4Al5Co3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.050
_cell_length_b   5.050
_cell_length_c   7.991
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   176.523
_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
  Nb  Nb0  1  0.333  0.333  0.049  1.0
  Nb  Nb1  1  0.667  0.667  0.924  1.0
  Nb  Nb2  1  0.667  0.667  0.576  1.0
  Nb  Nb3  1  0.333  0.333  0.451  1.0
  Al  Al4  1  0.830  0.339  0.250  1.0
  Al  Al5  1  0.339  0.830  0.250  1.0
  Al  Al6  1  0.830  0.830  0.250  1.0
  Al  Al7  1  0.000  0.000  0.526  1.0
  Al  Al8  1  0.000  0.000  0.974  1.0
  Co  Co9  1  0.176  0.647  0.750  1.0
  Co  Co10  1  0.647  0.176  0.750  1.0
  Co  Co11  1  0.176  0.176  0.750  1.0
[/CIF]
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