The crystal structure described by Ti4Co4Ge7 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 two equivalent Ge(2), two equivalent Ge(4), and three equivalent Ge(1) atoms. In the second Ti site, Ti(2) is bonded to one Ge(3), two equivalent Ge(1), two equivalent Ge(2), and two equivalent Ge(4) atoms to form a mixture of distorted corner, edge, and face-sharing TiGe7 pentagonal bipyramids. Co(1) is bonded in a 6-coordinate geometry to two equivalent Ge(1), two equivalent Ge(2), and two equivalent Ge(3) atoms. There are four inequivalent Ge sites. In the first Ge site, Ge(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 Ge site, Ge(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 Ge site, Ge(3) is bonded in a 6-coordinate geometry to one Ti(2), four equivalent Co(1), and one Ge(3) atom. In the fourth Ge site, Ge(4) is bonded in a 10-coordinate geometry to four equivalent Ti(1), four equivalent Ti(2), and two equivalent Ge(4) atoms. is represented by the CIF file [CIF]
data_Ti4Co4Ge7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.091
_cell_length_b   9.444
_cell_length_c   9.444
_cell_angle_alpha   85.834
_cell_angle_beta   74.364
_cell_angle_gamma   74.364
_symmetry_Int_Tables_number   1
_cell_volume   421.055
_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  0.137  0.000  0.726  1.0
  Ti  Ti1  1  0.863  0.000  0.274  1.0
  Ti  Ti2  1  0.863  0.274  0.000  1.0
  Ti  Ti3  1  0.137  0.726  0.000  1.0
  Ti  Ti4  1  0.500  0.192  0.808  1.0
  Ti  Ti5  1  0.500  0.808  0.192  1.0
  Ti  Ti6  1  0.308  0.192  0.192  1.0
  Ti  Ti7  1  0.692  0.808  0.808  1.0
  Co  Co8  1  0.401  0.500  0.199  1.0
  Co  Co9  1  0.099  0.500  0.801  1.0
  Co  Co10  1  0.099  0.801  0.500  1.0
  Co  Co11  1  0.401  0.199  0.500  1.0
  Co  Co12  1  0.599  0.801  0.500  1.0
  Co  Co13  1  0.901  0.199  0.500  1.0
  Co  Co14  1  0.901  0.500  0.199  1.0
  Co  Co15  1  0.599  0.500  0.801  1.0
  Ge  Ge16  1  0.298  0.000  0.404  1.0
  Ge  Ge17  1  0.702  0.000  0.596  1.0
  Ge  Ge18  1  0.702  0.596  0.000  1.0
  Ge  Ge19  1  0.298  0.404  0.000  1.0
  Ge  Ge20  1  0.000  0.284  0.716  1.0
  Ge  Ge21  1  0.000  0.716  0.284  1.0
  Ge  Ge22  1  0.716  0.284  0.284  1.0
  Ge  Ge23  1  0.284  0.716  0.716  1.0
  Ge  Ge24  1  0.500  0.403  0.597  1.0
  Ge  Ge25  1  0.500  0.597  0.403  1.0
  Ge  Ge26  1  0.097  0.403  0.403  1.0
  Ge  Ge27  1  0.903  0.597  0.597  1.0
  Ge  Ge28  1  0.751  0.000  0.000  1.0
  Ge  Ge29  1  0.249  0.000  0.000  1.0
[/CIF]
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The crystal structure described by Ti4Co4Ge7 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 two equivalent Ge(2), two equivalent Ge(4), and three equivalent Ge(1) atoms. In the second Ti site, Ti(2) is bonded to one Ge(3), two equivalent Ge(1), two equivalent Ge(2), and two equivalent Ge(4) atoms to form a mixture of distorted corner, edge, and face-sharing TiGe7 pentagonal bipyramids. Co(1) is bonded in a 6-coordinate geometry to two equivalent Ge(1), two equivalent Ge(2), and two equivalent Ge(3) atoms. There are four inequivalent Ge sites. In the first Ge site, Ge(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 Ge site, Ge(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 Ge site, Ge(3) is bonded in a 6-coordinate geometry to one Ti(2), four equivalent Co(1), and one Ge(3) atom. In the fourth Ge site, Ge(4) is bonded in a 10-coordinate geometry to four equivalent Ti(1), four equivalent Ti(2), and two equivalent Ge(4) atoms. is represented by the CIF file [CIF]
data_Ti4Co4Ge7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.091
_cell_length_b   9.444
_cell_length_c   9.444
_cell_angle_alpha   85.834
_cell_angle_beta   74.364
_cell_angle_gamma   74.364
_symmetry_Int_Tables_number   1
_cell_volume   421.055
_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  0.137  0.000  0.726  1.0
  Ti  Ti1  1  0.863  0.000  0.274  1.0
  Ti  Ti2  1  0.863  0.274  0.000  1.0
  Ti  Ti3  1  0.137  0.726  0.000  1.0
  Ti  Ti4  1  0.500  0.192  0.808  1.0
  Ti  Ti5  1  0.500  0.808  0.192  1.0
  Ti  Ti6  1  0.308  0.192  0.192  1.0
  Ti  Ti7  1  0.692  0.808  0.808  1.0
  Co  Co8  1  0.401  0.500  0.199  1.0
  Co  Co9  1  0.099  0.500  0.801  1.0
  Co  Co10  1  0.099  0.801  0.500  1.0
  Co  Co11  1  0.401  0.199  0.500  1.0
  Co  Co12  1  0.599  0.801  0.500  1.0
  Co  Co13  1  0.901  0.199  0.500  1.0
  Co  Co14  1  0.901  0.500  0.199  1.0
  Co  Co15  1  0.599  0.500  0.801  1.0
  Ge  Ge16  1  0.298  0.000  0.404  1.0
  Ge  Ge17  1  0.702  0.000  0.596  1.0
  Ge  Ge18  1  0.702  0.596  0.000  1.0
  Ge  Ge19  1  0.298  0.404  0.000  1.0
  Ge  Ge20  1  0.000  0.284  0.716  1.0
  Ge  Ge21  1  0.000  0.716  0.284  1.0
  Ge  Ge22  1  0.716  0.284  0.284  1.0
  Ge  Ge23  1  0.284  0.716  0.716  1.0
  Ge  Ge24  1  0.500  0.403  0.597  1.0
  Ge  Ge25  1  0.500  0.597  0.403  1.0
  Ge  Ge26  1  0.097  0.403  0.403  1.0
  Ge  Ge27  1  0.903  0.597  0.597  1.0
  Ge  Ge28  1  0.751  0.000  0.000  1.0
  Ge  Ge29  1  0.249  0.000  0.000  1.0
[/CIF]
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