The compound described by Zr6Co7Al16 crystallizes in the cubic Fm-3m space group. Zr(1) is bonded in a 12-coordinate geometry to four equivalent Co(2), four equivalent Al(1), and four equivalent Al(2) atoms. There are two inequivalent Co sites. In the first Co site, Co(2) is bonded to four equivalent Zr(1), four equivalent Al(1), and four equivalent Al(2) atoms to form a mixture of distorted corner and face-sharing CoZr4Al8 cuboctahedra. In the second Co site, Co(1) is bonded in a body-centered cubic geometry to eight equivalent Al(1) atoms. There are two inequivalent Al sites. In the first Al site, Al(2) is bonded in a 6-coordinate geometry to three equivalent Zr(1), three equivalent Co(2), and three equivalent Al(1) atoms. In the second Al site, Al(1) is bonded in a 13-coordinate geometry to three equivalent Zr(1), one Co(1), three equivalent Co(2), three equivalent Al(1), and three equivalent Al(2) atoms. is represented by the CIF file [CIF]
data_Zr6Al16Co7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.514
_cell_length_b   8.514
_cell_length_c   8.514
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   436.460
_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
  Zr  Zr0  1  0.695  0.305  0.305  1.0
  Zr  Zr1  1  0.695  0.305  0.695  1.0
  Zr  Zr2  1  0.695  0.695  0.305  1.0
  Zr  Zr3  1  0.305  0.695  0.695  1.0
  Zr  Zr4  1  0.305  0.695  0.305  1.0
  Zr  Zr5  1  0.305  0.305  0.695  1.0
  Al  Al6  1  0.644  0.119  0.119  1.0
  Al  Al7  1  0.119  0.644  0.119  1.0
  Al  Al8  1  0.119  0.119  0.644  1.0
  Al  Al9  1  0.119  0.119  0.119  1.0
  Al  Al10  1  0.356  0.881  0.881  1.0
  Al  Al11  1  0.881  0.356  0.881  1.0
  Al  Al12  1  0.881  0.881  0.356  1.0
  Al  Al13  1  0.881  0.881  0.881  1.0
  Al  Al14  1  0.996  0.335  0.335  1.0
  Al  Al15  1  0.335  0.996  0.335  1.0
  Al  Al16  1  0.335  0.335  0.996  1.0
  Al  Al17  1  0.335  0.335  0.335  1.0
  Al  Al18  1  0.004  0.665  0.665  1.0
  Al  Al19  1  0.665  0.004  0.665  1.0
  Al  Al20  1  0.665  0.665  0.004  1.0
  Al  Al21  1  0.665  0.665  0.665  1.0
  Co  Co22  1  0.000  0.000  0.000  1.0
  Co  Co23  1  0.500  0.000  0.000  1.0
  Co  Co24  1  0.500  0.000  0.500  1.0
  Co  Co25  1  0.500  0.500  0.000  1.0
  Co  Co26  1  0.000  0.500  0.500  1.0
  Co  Co27  1  0.000  0.500  0.000  1.0
  Co  Co28  1  0.000  0.000  0.500  1.0
[/CIF]
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The compound described by Zr6Co7Al16 crystallizes in the cubic Fm-3m space group. Zr(1) is bonded in a 12-coordinate geometry to four equivalent Co(2), four equivalent Al(1), and four equivalent Al(2) atoms. There are two inequivalent Co sites. In the first Co site, Co(2) is bonded to four equivalent Zr(1), four equivalent Al(1), and four equivalent Al(2) atoms to form a mixture of distorted corner and face-sharing CoZr4Al8 cuboctahedra. In the second Co site, Co(1) is bonded in a body-centered cubic geometry to eight equivalent Al(1) atoms. There are two inequivalent Al sites. In the first Al site, Al(2) is bonded in a 6-coordinate geometry to three equivalent Zr(1), three equivalent Co(2), and three equivalent Al(1) atoms. In the second Al site, Al(1) is bonded in a 13-coordinate geometry to three equivalent Zr(1), one Co(1), three equivalent Co(2), three equivalent Al(1), and three equivalent Al(2) atoms. is represented by the CIF file [CIF]
data_Zr6Al16Co7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.514
_cell_length_b   8.514
_cell_length_c   8.514
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   436.460
_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
  Zr  Zr0  1  0.695  0.305  0.305  1.0
  Zr  Zr1  1  0.695  0.305  0.695  1.0
  Zr  Zr2  1  0.695  0.695  0.305  1.0
  Zr  Zr3  1  0.305  0.695  0.695  1.0
  Zr  Zr4  1  0.305  0.695  0.305  1.0
  Zr  Zr5  1  0.305  0.305  0.695  1.0
  Al  Al6  1  0.644  0.119  0.119  1.0
  Al  Al7  1  0.119  0.644  0.119  1.0
  Al  Al8  1  0.119  0.119  0.644  1.0
  Al  Al9  1  0.119  0.119  0.119  1.0
  Al  Al10  1  0.356  0.881  0.881  1.0
  Al  Al11  1  0.881  0.356  0.881  1.0
  Al  Al12  1  0.881  0.881  0.356  1.0
  Al  Al13  1  0.881  0.881  0.881  1.0
  Al  Al14  1  0.996  0.335  0.335  1.0
  Al  Al15  1  0.335  0.996  0.335  1.0
  Al  Al16  1  0.335  0.335  0.996  1.0
  Al  Al17  1  0.335  0.335  0.335  1.0
  Al  Al18  1  0.004  0.665  0.665  1.0
  Al  Al19  1  0.665  0.004  0.665  1.0
  Al  Al20  1  0.665  0.665  0.004  1.0
  Al  Al21  1  0.665  0.665  0.665  1.0
  Co  Co22  1  0.000  0.000  0.000  1.0
  Co  Co23  1  0.500  0.000  0.000  1.0
  Co  Co24  1  0.500  0.000  0.500  1.0
  Co  Co25  1  0.500  0.500  0.000  1.0
  Co  Co26  1  0.000  0.500  0.500  1.0
  Co  Co27  1  0.000  0.500  0.000  1.0
  Co  Co28  1  0.000  0.000  0.500  1.0
[/CIF]
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