The material structure described by Zr4Co4Si7 crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 7-coordinate geometry to four equivalent Co(1), two equivalent Si(2), two equivalent Si(4), and three equivalent Si(3) atoms. In the second Zr site, Zr(2) is bonded in a 7-coordinate geometry to four equivalent Co(1), one Si(1), two equivalent Si(2), two equivalent Si(3), and two equivalent Si(4) atoms. Co(1) is bonded to two equivalent Zr(1), two equivalent Zr(2), two equivalent Co(1), two equivalent Si(1), two equivalent Si(3), and two equivalent Si(4) atoms to form a mixture of distorted corner, face, and edge-sharing CoZr4Co2Si6 cuboctahedra. There are four inequivalent Si sites. In the first Si site, Si(1) is bonded in a 6-coordinate geometry to one Zr(2), four equivalent Co(1), and one Si(1) atom. In the second Si site, Si(2) is bonded in a 10-coordinate geometry to four equivalent Zr(1), four equivalent Zr(2), and two equivalent Si(2) atoms. In the third Si site, Si(3) is bonded in a 9-coordinate geometry to two equivalent Zr(2), three equivalent Zr(1), and four equivalent Co(1) atoms. In the fourth Si site, Si(4) is bonded in a 8-coordinate geometry to two equivalent Zr(1), two equivalent Zr(2), and four equivalent Co(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Zr4Co4Si7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.491
_cell_length_b   9.491
_cell_length_c   9.491
_cell_angle_alpha   94.105
_cell_angle_beta   94.105
_cell_angle_gamma   148.964
_symmetry_Int_Tables_number   1
_cell_volume   424.757
_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
  Zr  Zr0  1  0.138  0.138  0.275  1.0
  Zr  Zr1  1  0.862  0.862  0.725  1.0
  Zr  Zr2  1  0.862  0.138  0.000  1.0
  Zr  Zr3  1  0.138  0.862  0.000  1.0
  Zr  Zr4  1  0.500  0.303  0.803  1.0
  Zr  Zr5  1  0.500  0.697  0.197  1.0
  Zr  Zr6  1  0.697  0.500  0.197  1.0
  Zr  Zr7  1  0.303  0.500  0.803  1.0
  Co  Co8  1  0.397  0.897  0.794  1.0
  Co  Co9  1  0.103  0.603  0.206  1.0
  Co  Co10  1  0.103  0.897  0.500  1.0
  Co  Co11  1  0.397  0.603  0.500  1.0
  Co  Co12  1  0.603  0.397  0.500  1.0
  Co  Co13  1  0.897  0.103  0.500  1.0
  Co  Co14  1  0.897  0.397  0.794  1.0
  Co  Co15  1  0.603  0.103  0.206  1.0
  Si  Si16  1  0.500  0.092  0.592  1.0
  Si  Si17  1  0.500  0.908  0.408  1.0
  Si  Si18  1  0.908  0.500  0.408  1.0
  Si  Si19  1  0.092  0.500  0.592  1.0
  Si  Si20  1  0.749  0.749  0.000  1.0
  Si  Si21  1  0.251  0.251  0.000  1.0
  Si  Si22  1  0.289  0.289  0.577  1.0
  Si  Si23  1  0.711  0.711  0.423  1.0
  Si  Si24  1  0.711  0.289  0.000  1.0
  Si  Si25  1  0.289  0.711  0.000  1.0
  Si  Si26  1  0.000  0.303  0.303  1.0
  Si  Si27  1  0.000  0.697  0.697  1.0
  Si  Si28  1  0.697  0.000  0.697  1.0
  Si  Si29  1  0.303  0.000  0.303  1.0
[/CIF]
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The material structure described by Zr4Co4Si7 crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 7-coordinate geometry to four equivalent Co(1), two equivalent Si(2), two equivalent Si(4), and three equivalent Si(3) atoms. In the second Zr site, Zr(2) is bonded in a 7-coordinate geometry to four equivalent Co(1), one Si(1), two equivalent Si(2), two equivalent Si(3), and two equivalent Si(4) atoms. Co(1) is bonded to two equivalent Zr(1), two equivalent Zr(2), two equivalent Co(1), two equivalent Si(1), two equivalent Si(3), and two equivalent Si(4) atoms to form a mixture of distorted corner, face, and edge-sharing CoZr4Co2Si6 cuboctahedra. There are four inequivalent Si sites. In the first Si site, Si(1) is bonded in a 6-coordinate geometry to one Zr(2), four equivalent Co(1), and one Si(1) atom. In the second Si site, Si(2) is bonded in a 10-coordinate geometry to four equivalent Zr(1), four equivalent Zr(2), and two equivalent Si(2) atoms. In the third Si site, Si(3) is bonded in a 9-coordinate geometry to two equivalent Zr(2), three equivalent Zr(1), and four equivalent Co(1) atoms. In the fourth Si site, Si(4) is bonded in a 8-coordinate geometry to two equivalent Zr(1), two equivalent Zr(2), and four equivalent Co(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Zr4Co4Si7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.491
_cell_length_b   9.491
_cell_length_c   9.491
_cell_angle_alpha   94.105
_cell_angle_beta   94.105
_cell_angle_gamma   148.964
_symmetry_Int_Tables_number   1
_cell_volume   424.757
_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
  Zr  Zr0  1  0.138  0.138  0.275  1.0
  Zr  Zr1  1  0.862  0.862  0.725  1.0
  Zr  Zr2  1  0.862  0.138  0.000  1.0
  Zr  Zr3  1  0.138  0.862  0.000  1.0
  Zr  Zr4  1  0.500  0.303  0.803  1.0
  Zr  Zr5  1  0.500  0.697  0.197  1.0
  Zr  Zr6  1  0.697  0.500  0.197  1.0
  Zr  Zr7  1  0.303  0.500  0.803  1.0
  Co  Co8  1  0.397  0.897  0.794  1.0
  Co  Co9  1  0.103  0.603  0.206  1.0
  Co  Co10  1  0.103  0.897  0.500  1.0
  Co  Co11  1  0.397  0.603  0.500  1.0
  Co  Co12  1  0.603  0.397  0.500  1.0
  Co  Co13  1  0.897  0.103  0.500  1.0
  Co  Co14  1  0.897  0.397  0.794  1.0
  Co  Co15  1  0.603  0.103  0.206  1.0
  Si  Si16  1  0.500  0.092  0.592  1.0
  Si  Si17  1  0.500  0.908  0.408  1.0
  Si  Si18  1  0.908  0.500  0.408  1.0
  Si  Si19  1  0.092  0.500  0.592  1.0
  Si  Si20  1  0.749  0.749  0.000  1.0
  Si  Si21  1  0.251  0.251  0.000  1.0
  Si  Si22  1  0.289  0.289  0.577  1.0
  Si  Si23  1  0.711  0.711  0.423  1.0
  Si  Si24  1  0.711  0.289  0.000  1.0
  Si  Si25  1  0.289  0.711  0.000  1.0
  Si  Si26  1  0.000  0.303  0.303  1.0
  Si  Si27  1  0.000  0.697  0.697  1.0
  Si  Si28  1  0.697  0.000  0.697  1.0
  Si  Si29  1  0.303  0.000  0.303  1.0
[/CIF]
.