The compound described by Hf2Co3Si4 crystallizes in the orthorhombic Pbcn space group. Hf(1) is bonded in a 14-coordinate geometry to three equivalent Co(1), three equivalent Co(2), four equivalent Si(1), and four equivalent Si(2) atoms. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a 10-coordinate geometry to three equivalent Hf(1), two equivalent Co(1), one Si(2), and four equivalent Si(1) atoms. In the second Co site, Co(2) is bonded to six equivalent Hf(1), two equivalent Si(1), and four equivalent Si(2) atoms to form a mixture of distorted edge and face-sharing CoHf6Si6 cuboctahedra. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 8-coordinate geometry to four equivalent Hf(1), one Co(2), and four equivalent Co(1) atoms. In the second Si site, Si(2) is bonded in a 7-coordinate geometry to four equivalent Hf(1), one Co(1), and two equivalent Co(2) atoms. is represented by the CIF file [CIF]
data_Hf2Co3Si4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.154
_cell_length_b   6.680
_cell_length_c   13.570
_cell_angle_alpha   90.000
_cell_angle_beta   90.001
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   467.174
_cell_formula_units_Z   4
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  0.230  0.398  0.146  1.0
  Hf  Hf1  1  0.730  0.102  0.146  1.0
  Hf  Hf2  1  0.270  0.102  0.646  1.0
  Hf  Hf3  1  0.770  0.398  0.646  1.0
  Hf  Hf4  1  0.230  0.602  0.354  1.0
  Hf  Hf5  1  0.730  0.898  0.354  1.0
  Hf  Hf6  1  0.270  0.898  0.854  1.0
  Hf  Hf7  1  0.770  0.602  0.854  1.0
  Co  Co8  1  0.994  0.277  0.982  1.0
  Co  Co9  1  0.506  0.223  0.482  1.0
  Co  Co10  1  0.776  0.000  0.750  1.0
  Co  Co11  1  0.494  0.223  0.982  1.0
  Co  Co12  1  0.724  0.500  0.250  1.0
  Co  Co13  1  0.494  0.777  0.518  1.0
  Co  Co14  1  0.006  0.277  0.482  1.0
  Co  Co15  1  0.006  0.723  0.018  1.0
  Co  Co16  1  0.224  1.000  0.250  1.0
  Co  Co17  1  0.276  0.500  0.750  1.0
  Co  Co18  1  0.506  0.777  0.018  1.0
  Co  Co19  1  0.994  0.723  0.518  1.0
  Si  Si20  1  0.215  0.018  0.069  1.0
  Si  Si21  1  0.715  0.518  0.431  1.0
  Si  Si22  1  0.785  0.018  0.569  1.0
  Si  Si23  1  0.479  0.754  0.187  1.0
  Si  Si24  1  0.021  0.254  0.813  1.0
  Si  Si25  1  0.521  0.246  0.813  1.0
  Si  Si26  1  0.215  0.982  0.431  1.0
  Si  Si27  1  0.285  0.518  0.931  1.0
  Si  Si28  1  0.979  0.746  0.187  1.0
  Si  Si29  1  0.715  0.482  0.069  1.0
  Si  Si30  1  0.285  0.482  0.569  1.0
  Si  Si31  1  0.479  0.246  0.313  1.0
  Si  Si32  1  0.021  0.746  0.687  1.0
  Si  Si33  1  0.785  0.982  0.931  1.0
  Si  Si34  1  0.521  0.754  0.687  1.0
  Si  Si35  1  0.979  0.254  0.313  1.0
[/CIF]
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The compound described by Hf2Co3Si4 crystallizes in the orthorhombic Pbcn space group. Hf(1) is bonded in a 14-coordinate geometry to three equivalent Co(1), three equivalent Co(2), four equivalent Si(1), and four equivalent Si(2) atoms. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a 10-coordinate geometry to three equivalent Hf(1), two equivalent Co(1), one Si(2), and four equivalent Si(1) atoms. In the second Co site, Co(2) is bonded to six equivalent Hf(1), two equivalent Si(1), and four equivalent Si(2) atoms to form a mixture of distorted edge and face-sharing CoHf6Si6 cuboctahedra. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 8-coordinate geometry to four equivalent Hf(1), one Co(2), and four equivalent Co(1) atoms. In the second Si site, Si(2) is bonded in a 7-coordinate geometry to four equivalent Hf(1), one Co(1), and two equivalent Co(2) atoms. is represented by the CIF file [CIF]
data_Hf2Co3Si4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.154
_cell_length_b   6.680
_cell_length_c   13.570
_cell_angle_alpha   90.000
_cell_angle_beta   90.001
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   467.174
_cell_formula_units_Z   4
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  0.230  0.398  0.146  1.0
  Hf  Hf1  1  0.730  0.102  0.146  1.0
  Hf  Hf2  1  0.270  0.102  0.646  1.0
  Hf  Hf3  1  0.770  0.398  0.646  1.0
  Hf  Hf4  1  0.230  0.602  0.354  1.0
  Hf  Hf5  1  0.730  0.898  0.354  1.0
  Hf  Hf6  1  0.270  0.898  0.854  1.0
  Hf  Hf7  1  0.770  0.602  0.854  1.0
  Co  Co8  1  0.994  0.277  0.982  1.0
  Co  Co9  1  0.506  0.223  0.482  1.0
  Co  Co10  1  0.776  0.000  0.750  1.0
  Co  Co11  1  0.494  0.223  0.982  1.0
  Co  Co12  1  0.724  0.500  0.250  1.0
  Co  Co13  1  0.494  0.777  0.518  1.0
  Co  Co14  1  0.006  0.277  0.482  1.0
  Co  Co15  1  0.006  0.723  0.018  1.0
  Co  Co16  1  0.224  1.000  0.250  1.0
  Co  Co17  1  0.276  0.500  0.750  1.0
  Co  Co18  1  0.506  0.777  0.018  1.0
  Co  Co19  1  0.994  0.723  0.518  1.0
  Si  Si20  1  0.215  0.018  0.069  1.0
  Si  Si21  1  0.715  0.518  0.431  1.0
  Si  Si22  1  0.785  0.018  0.569  1.0
  Si  Si23  1  0.479  0.754  0.187  1.0
  Si  Si24  1  0.021  0.254  0.813  1.0
  Si  Si25  1  0.521  0.246  0.813  1.0
  Si  Si26  1  0.215  0.982  0.431  1.0
  Si  Si27  1  0.285  0.518  0.931  1.0
  Si  Si28  1  0.979  0.746  0.187  1.0
  Si  Si29  1  0.715  0.482  0.069  1.0
  Si  Si30  1  0.285  0.482  0.569  1.0
  Si  Si31  1  0.479  0.246  0.313  1.0
  Si  Si32  1  0.021  0.746  0.687  1.0
  Si  Si33  1  0.785  0.982  0.931  1.0
  Si  Si34  1  0.521  0.754  0.687  1.0
  Si  Si35  1  0.979  0.254  0.313  1.0
[/CIF]
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