The material described by Hf2CoAl3 crystallizes in the hexagonal P6_3/mmc space group. Hf(1) is bonded in a 16-coordinate geometry to four equivalent Hf(1), three equivalent Co(1), and nine equivalent Al(1) atoms. Co(1) is bonded to six equivalent Hf(1) and six equivalent Al(1) atoms to form CoHf6Al6 cuboctahedra that share corners with twelve equivalent Al(1)Hf6Al4Co2 cuboctahedra, edges with six equivalent Co(1)Hf6Al6 cuboctahedra, faces with two equivalent Co(1)Hf6Al6 cuboctahedra, and faces with eighteen equivalent Al(1)Hf6Al4Co2 cuboctahedra. Al(1) is bonded to six equivalent Hf(1), two equivalent Co(1), and four equivalent Al(1) atoms to form distorted AlHf6Al4Co2 cuboctahedra that share corners with four equivalent Co(1)Hf6Al6 cuboctahedra, corners with fourteen equivalent Al(1)Hf6Al4Co2 cuboctahedra, edges with six equivalent Al(1)Hf6Al4Co2 cuboctahedra, faces with six equivalent Co(1)Hf6Al6 cuboctahedra, and faces with twelve equivalent Al(1)Hf6Al4Co2 cuboctahedra. is represented by the CIF card [CIF]
data_Hf2Al3Co
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.229
_cell_length_b   5.229
_cell_length_c   8.232
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   60.001
_symmetry_Int_Tables_number   1
_cell_volume   194.964
_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
  Hf  Hf0  1  0.333  0.333  0.561  1.0
  Hf  Hf1  1  0.667  0.667  0.439  1.0
  Hf  Hf2  1  0.667  0.667  0.061  1.0
  Hf  Hf3  1  0.333  0.333  0.939  1.0
  Al  Al4  1  0.834  0.332  0.750  1.0
  Al  Al5  1  0.332  0.834  0.750  1.0
  Al  Al6  1  0.834  0.834  0.750  1.0
  Al  Al7  1  0.166  0.668  0.250  1.0
  Al  Al8  1  0.668  0.166  0.250  1.0
  Al  Al9  1  0.166  0.166  0.250  1.0
  Co  Co10  1  0.000  0.000  0.500  1.0
  Co  Co11  1  0.000  0.000  0.000  1.0
[/CIF]
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The material described by Hf2CoAl3 crystallizes in the hexagonal P6_3/mmc space group. Hf(1) is bonded in a 16-coordinate geometry to four equivalent Hf(1), three equivalent Co(1), and nine equivalent Al(1) atoms. Co(1) is bonded to six equivalent Hf(1) and six equivalent Al(1) atoms to form CoHf6Al6 cuboctahedra that share corners with twelve equivalent Al(1)Hf6Al4Co2 cuboctahedra, edges with six equivalent Co(1)Hf6Al6 cuboctahedra, faces with two equivalent Co(1)Hf6Al6 cuboctahedra, and faces with eighteen equivalent Al(1)Hf6Al4Co2 cuboctahedra. Al(1) is bonded to six equivalent Hf(1), two equivalent Co(1), and four equivalent Al(1) atoms to form distorted AlHf6Al4Co2 cuboctahedra that share corners with four equivalent Co(1)Hf6Al6 cuboctahedra, corners with fourteen equivalent Al(1)Hf6Al4Co2 cuboctahedra, edges with six equivalent Al(1)Hf6Al4Co2 cuboctahedra, faces with six equivalent Co(1)Hf6Al6 cuboctahedra, and faces with twelve equivalent Al(1)Hf6Al4Co2 cuboctahedra. is represented by the CIF card [CIF]
data_Hf2Al3Co
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.229
_cell_length_b   5.229
_cell_length_c   8.232
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   60.001
_symmetry_Int_Tables_number   1
_cell_volume   194.964
_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
  Hf  Hf0  1  0.333  0.333  0.561  1.0
  Hf  Hf1  1  0.667  0.667  0.439  1.0
  Hf  Hf2  1  0.667  0.667  0.061  1.0
  Hf  Hf3  1  0.333  0.333  0.939  1.0
  Al  Al4  1  0.834  0.332  0.750  1.0
  Al  Al5  1  0.332  0.834  0.750  1.0
  Al  Al6  1  0.834  0.834  0.750  1.0
  Al  Al7  1  0.166  0.668  0.250  1.0
  Al  Al8  1  0.668  0.166  0.250  1.0
  Al  Al9  1  0.166  0.166  0.250  1.0
  Co  Co10  1  0.000  0.000  0.500  1.0
  Co  Co11  1  0.000  0.000  0.000  1.0
[/CIF]
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