The compound described by Hf4Co4Si7 crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Hf sites. In the first Hf site, Hf(1) is bonded in a 7-coordinate geometry to four equivalent Co(1), two equivalent Si(3), two equivalent Si(4), and three equivalent Si(1) atoms. In the second Hf site, Hf(2) is bonded in a 7-coordinate geometry to four equivalent Co(1), one Si(2), two equivalent Si(1), two equivalent Si(3), and two equivalent Si(4) atoms. Co(1) is bonded to two equivalent Hf(1), two equivalent Hf(2), two equivalent Co(1), two equivalent Si(1), two equivalent Si(2), and two equivalent Si(4) atoms to form a mixture of distorted face, corner, and edge-sharing CoHf4Co2Si6 cuboctahedra. There are four inequivalent Si sites. In the first Si site, Si(1) is bonded in a 9-coordinate geometry to two equivalent Hf(2), three equivalent Hf(1), and four equivalent Co(1) atoms. In the second Si site, Si(2) is bonded in a 6-coordinate geometry to one Hf(2), four equivalent Co(1), and one Si(2) atom. In the third Si site, Si(3) is bonded in a 10-coordinate geometry to four equivalent Hf(1), four equivalent Hf(2), and two equivalent Si(3) atoms. In the fourth Si site, Si(4) is bonded in a 8-coordinate geometry to two equivalent Hf(1), two equivalent Hf(2), and four equivalent Co(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Hf4Co4Si7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.371
_cell_length_b   9.371
_cell_length_c   9.371
_cell_angle_alpha   94.080
_cell_angle_beta   94.080
_cell_angle_gamma   149.059
_symmetry_Int_Tables_number   1
_cell_volume   407.729
_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  0.138  0.138  0.275  1.0
  Hf  Hf1  1  0.862  0.862  0.725  1.0
  Hf  Hf2  1  0.138  0.862  0.000  1.0
  Hf  Hf3  1  0.862  0.138  0.000  1.0
  Hf  Hf4  1  0.303  0.500  0.803  1.0
  Hf  Hf5  1  0.697  0.500  0.197  1.0
  Hf  Hf6  1  0.500  0.697  0.197  1.0
  Hf  Hf7  1  0.500  0.303  0.803  1.0
  Co  Co8  1  0.102  0.602  0.204  1.0
  Co  Co9  1  0.398  0.898  0.796  1.0
  Co  Co10  1  0.898  0.102  0.500  1.0
  Co  Co11  1  0.602  0.398  0.500  1.0
  Co  Co12  1  0.602  0.102  0.204  1.0
  Co  Co13  1  0.898  0.398  0.796  1.0
  Co  Co14  1  0.102  0.898  0.500  1.0
  Co  Co15  1  0.398  0.602  0.500  1.0
  Si  Si16  1  0.289  0.289  0.579  1.0
  Si  Si17  1  0.711  0.711  0.421  1.0
  Si  Si18  1  0.289  0.711  0.000  1.0
  Si  Si19  1  0.711  0.289  0.000  1.0
  Si  Si20  1  0.092  0.500  0.592  1.0
  Si  Si21  1  0.908  0.500  0.408  1.0
  Si  Si22  1  0.500  0.908  0.408  1.0
  Si  Si23  1  0.500  0.092  0.592  1.0
  Si  Si24  1  0.251  0.251  1.000  1.0
  Si  Si25  1  0.749  0.749  0.000  1.0
  Si  Si26  1  0.303  1.000  0.303  1.0
  Si  Si27  1  0.697  0.000  0.697  1.0
  Si  Si28  1  0.000  0.697  0.697  1.0
  Si  Si29  1  1.000  0.303  0.303  1.0
[/CIF]
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The compound described by Hf4Co4Si7 crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Hf sites. In the first Hf site, Hf(1) is bonded in a 7-coordinate geometry to four equivalent Co(1), two equivalent Si(3), two equivalent Si(4), and three equivalent Si(1) atoms. In the second Hf site, Hf(2) is bonded in a 7-coordinate geometry to four equivalent Co(1), one Si(2), two equivalent Si(1), two equivalent Si(3), and two equivalent Si(4) atoms. Co(1) is bonded to two equivalent Hf(1), two equivalent Hf(2), two equivalent Co(1), two equivalent Si(1), two equivalent Si(2), and two equivalent Si(4) atoms to form a mixture of distorted face, corner, and edge-sharing CoHf4Co2Si6 cuboctahedra. There are four inequivalent Si sites. In the first Si site, Si(1) is bonded in a 9-coordinate geometry to two equivalent Hf(2), three equivalent Hf(1), and four equivalent Co(1) atoms. In the second Si site, Si(2) is bonded in a 6-coordinate geometry to one Hf(2), four equivalent Co(1), and one Si(2) atom. In the third Si site, Si(3) is bonded in a 10-coordinate geometry to four equivalent Hf(1), four equivalent Hf(2), and two equivalent Si(3) atoms. In the fourth Si site, Si(4) is bonded in a 8-coordinate geometry to two equivalent Hf(1), two equivalent Hf(2), and four equivalent Co(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Hf4Co4Si7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.371
_cell_length_b   9.371
_cell_length_c   9.371
_cell_angle_alpha   94.080
_cell_angle_beta   94.080
_cell_angle_gamma   149.059
_symmetry_Int_Tables_number   1
_cell_volume   407.729
_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  0.138  0.138  0.275  1.0
  Hf  Hf1  1  0.862  0.862  0.725  1.0
  Hf  Hf2  1  0.138  0.862  0.000  1.0
  Hf  Hf3  1  0.862  0.138  0.000  1.0
  Hf  Hf4  1  0.303  0.500  0.803  1.0
  Hf  Hf5  1  0.697  0.500  0.197  1.0
  Hf  Hf6  1  0.500  0.697  0.197  1.0
  Hf  Hf7  1  0.500  0.303  0.803  1.0
  Co  Co8  1  0.102  0.602  0.204  1.0
  Co  Co9  1  0.398  0.898  0.796  1.0
  Co  Co10  1  0.898  0.102  0.500  1.0
  Co  Co11  1  0.602  0.398  0.500  1.0
  Co  Co12  1  0.602  0.102  0.204  1.0
  Co  Co13  1  0.898  0.398  0.796  1.0
  Co  Co14  1  0.102  0.898  0.500  1.0
  Co  Co15  1  0.398  0.602  0.500  1.0
  Si  Si16  1  0.289  0.289  0.579  1.0
  Si  Si17  1  0.711  0.711  0.421  1.0
  Si  Si18  1  0.289  0.711  0.000  1.0
  Si  Si19  1  0.711  0.289  0.000  1.0
  Si  Si20  1  0.092  0.500  0.592  1.0
  Si  Si21  1  0.908  0.500  0.408  1.0
  Si  Si22  1  0.500  0.908  0.408  1.0
  Si  Si23  1  0.500  0.092  0.592  1.0
  Si  Si24  1  0.251  0.251  1.000  1.0
  Si  Si25  1  0.749  0.749  0.000  1.0
  Si  Si26  1  0.303  1.000  0.303  1.0
  Si  Si27  1  0.697  0.000  0.697  1.0
  Si  Si28  1  0.000  0.697  0.697  1.0
  Si  Si29  1  1.000  0.303  0.303  1.0
[/CIF]
.