The structure described by Ti4Co4Si7 crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Ti sites. In the first Ti site, Ti(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(1) atoms. In the second Ti site, Ti(2) is bonded in a 7-coordinate geometry to four equivalent Co(1), one Si(3), two equivalent Si(1), two equivalent Si(2), and two equivalent Si(4) atoms. Co(1) is bonded to two equivalent Ti(1), two equivalent Ti(2), two equivalent Co(1), two equivalent Si(1), two equivalent Si(2), and two equivalent Si(3) atoms to form a mixture of distorted edge, corner, and face-sharing CoTi4Co2Si6 cuboctahedra. There are four inequivalent Si sites. In the first Si site, Si(1) is bonded in a 9-coordinate geometry to two equivalent Ti(2), three equivalent Ti(1), and four equivalent Co(1) atoms. In the second Si site, Si(2) is bonded in a 8-coordinate geometry to two equivalent Ti(1), two equivalent Ti(2), and four equivalent Co(1) atoms. In the third Si site, Si(3) is bonded in a 6-coordinate geometry to one Ti(2), four equivalent Co(1), and one Si(3) atom. In the fourth Si site, Si(4) is bonded in a 10-coordinate geometry to four equivalent Ti(1), four equivalent Ti(2), and two equivalent Si(4) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ti4Co4Si7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.121
_cell_length_b   9.121
_cell_length_c   9.122
_cell_angle_alpha   94.110
_cell_angle_beta   94.110
_cell_angle_gamma   148.943
_symmetry_Int_Tables_number   1
_cell_volume   377.224
_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
  Ti  Ti0  1  0.136  0.136  0.271  1.0
  Ti  Ti1  1  0.864  0.864  0.729  1.0
  Ti  Ti2  1  0.864  0.136  1.000  1.0
  Ti  Ti3  1  0.136  0.864  1.000  1.0
  Ti  Ti4  1  0.500  0.694  0.193  1.0
  Ti  Ti5  1  0.500  0.306  0.807  1.0
  Ti  Ti6  1  0.306  0.500  0.807  1.0
  Ti  Ti7  1  0.694  0.500  0.193  1.0
  Co  Co8  1  0.399  0.899  0.799  1.0
  Co  Co9  1  0.101  0.601  0.201  1.0
  Co  Co10  1  0.101  0.899  0.500  1.0
  Co  Co11  1  0.399  0.601  0.500  1.0
  Co  Co12  1  0.601  0.399  0.500  1.0
  Co  Co13  1  0.899  0.101  0.500  1.0
  Co  Co14  1  0.899  0.399  0.799  1.0
  Co  Co15  1  0.601  0.101  0.201  1.0
  Si  Si16  1  0.293  0.293  0.585  1.0
  Si  Si17  1  0.707  0.707  0.415  1.0
  Si  Si18  1  0.707  0.293  1.000  1.0
  Si  Si19  1  0.293  0.707  1.000  1.0
  Si  Si20  1  1.000  0.296  0.296  1.0
  Si  Si21  1  0.000  0.704  0.704  1.0
  Si  Si22  1  0.704  0.000  0.704  1.0
  Si  Si23  1  0.296  1.000  0.296  1.0
  Si  Si24  1  0.500  0.905  0.405  1.0
  Si  Si25  1  0.500  0.095  0.595  1.0
  Si  Si26  1  0.095  0.500  0.595  1.0
  Si  Si27  1  0.905  0.500  0.405  1.0
  Si  Si28  1  0.749  0.749  1.000  1.0
  Si  Si29  1  0.251  0.251  1.000  1.0
[/CIF]
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The structure described by Ti4Co4Si7 crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Ti sites. In the first Ti site, Ti(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(1) atoms. In the second Ti site, Ti(2) is bonded in a 7-coordinate geometry to four equivalent Co(1), one Si(3), two equivalent Si(1), two equivalent Si(2), and two equivalent Si(4) atoms. Co(1) is bonded to two equivalent Ti(1), two equivalent Ti(2), two equivalent Co(1), two equivalent Si(1), two equivalent Si(2), and two equivalent Si(3) atoms to form a mixture of distorted edge, corner, and face-sharing CoTi4Co2Si6 cuboctahedra. There are four inequivalent Si sites. In the first Si site, Si(1) is bonded in a 9-coordinate geometry to two equivalent Ti(2), three equivalent Ti(1), and four equivalent Co(1) atoms. In the second Si site, Si(2) is bonded in a 8-coordinate geometry to two equivalent Ti(1), two equivalent Ti(2), and four equivalent Co(1) atoms. In the third Si site, Si(3) is bonded in a 6-coordinate geometry to one Ti(2), four equivalent Co(1), and one Si(3) atom. In the fourth Si site, Si(4) is bonded in a 10-coordinate geometry to four equivalent Ti(1), four equivalent Ti(2), and two equivalent Si(4) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ti4Co4Si7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.121
_cell_length_b   9.121
_cell_length_c   9.122
_cell_angle_alpha   94.110
_cell_angle_beta   94.110
_cell_angle_gamma   148.943
_symmetry_Int_Tables_number   1
_cell_volume   377.224
_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
  Ti  Ti0  1  0.136  0.136  0.271  1.0
  Ti  Ti1  1  0.864  0.864  0.729  1.0
  Ti  Ti2  1  0.864  0.136  1.000  1.0
  Ti  Ti3  1  0.136  0.864  1.000  1.0
  Ti  Ti4  1  0.500  0.694  0.193  1.0
  Ti  Ti5  1  0.500  0.306  0.807  1.0
  Ti  Ti6  1  0.306  0.500  0.807  1.0
  Ti  Ti7  1  0.694  0.500  0.193  1.0
  Co  Co8  1  0.399  0.899  0.799  1.0
  Co  Co9  1  0.101  0.601  0.201  1.0
  Co  Co10  1  0.101  0.899  0.500  1.0
  Co  Co11  1  0.399  0.601  0.500  1.0
  Co  Co12  1  0.601  0.399  0.500  1.0
  Co  Co13  1  0.899  0.101  0.500  1.0
  Co  Co14  1  0.899  0.399  0.799  1.0
  Co  Co15  1  0.601  0.101  0.201  1.0
  Si  Si16  1  0.293  0.293  0.585  1.0
  Si  Si17  1  0.707  0.707  0.415  1.0
  Si  Si18  1  0.707  0.293  1.000  1.0
  Si  Si19  1  0.293  0.707  1.000  1.0
  Si  Si20  1  1.000  0.296  0.296  1.0
  Si  Si21  1  0.000  0.704  0.704  1.0
  Si  Si22  1  0.704  0.000  0.704  1.0
  Si  Si23  1  0.296  1.000  0.296  1.0
  Si  Si24  1  0.500  0.905  0.405  1.0
  Si  Si25  1  0.500  0.095  0.595  1.0
  Si  Si26  1  0.095  0.500  0.595  1.0
  Si  Si27  1  0.905  0.500  0.405  1.0
  Si  Si28  1  0.749  0.749  1.000  1.0
  Si  Si29  1  0.251  0.251  1.000  1.0
[/CIF]
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