The compound described by TiFeGe crystallizes in the orthorhombic Ima2 space group. There are three inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 5-coordinate geometry to two equivalent Fe(1), two equivalent Fe(2), two equivalent Ge(1), and four equivalent Ge(2) atoms. In the second Ti site, Ti(2) is bonded in a 9-coordinate geometry to two equivalent Fe(1), two equivalent Fe(2), one Ge(1), and four equivalent Ge(2) atoms. In the third Ti site, Ti(3) is bonded in a 11-coordinate geometry to two equivalent Fe(1), four equivalent Fe(2), one Ge(1), and four equivalent Ge(2) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 12-coordinate geometry to two equivalent Ti(1), two equivalent Ti(2), two equivalent Ti(3), two equivalent Fe(2), two equivalent Ge(1), and two equivalent Ge(2) atoms. In the second Fe site, Fe(2) is bonded in a 8-coordinate geometry to one Ti(1), one Ti(2), two equivalent Ti(3), one Fe(1), two equivalent Ge(1), and two equivalent Ge(2) atoms. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a 10-coordinate geometry to one Ti(2), one Ti(3), two equivalent Ti(1), two equivalent Fe(1), and four equivalent Fe(2) atoms. In the second Ge site, Ge(2) is bonded in a 9-coordinate geometry to two equivalent Ti(1), two equivalent Ti(2), two equivalent Ti(3), one Fe(1), and two equivalent Fe(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_TiFeGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.406
_cell_length_b   7.098
_cell_length_c   7.282
_cell_angle_alpha   119.167
_cell_angle_beta   116.095
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   249.790
_cell_formula_units_Z   6
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  0.241  0.476  0.453  1.0
  Ti  Ti1  1  0.788  0.524  0.547  1.0
  Ti  Ti2  1  0.663  0.749  0.998  1.0
  Ti  Ti3  1  0.665  0.251  0.002  1.0
  Ti  Ti4  1  0.854  0.054  0.607  1.0
  Ti  Ti5  1  0.246  0.946  0.393  1.0
  Fe  Fe6  1  0.001  0.000  0.000  1.0
  Fe  Fe7  1  0.001  0.500  0.000  1.0
  Fe  Fe8  1  0.495  0.661  0.246  1.0
  Fe  Fe9  1  0.249  0.339  0.754  1.0
  Fe  Fe10  1  0.249  0.914  0.754  1.0
  Fe  Fe11  1  0.495  0.086  0.246  1.0
  Ge  Ge12  1  0.286  0.282  0.064  1.0
  Ge  Ge13  1  0.222  0.718  0.936  1.0
  Ge  Ge14  1  0.579  0.839  0.665  1.0
  Ge  Ge15  1  0.913  0.161  0.335  1.0
  Ge  Ge16  1  0.913  0.673  0.335  1.0
  Ge  Ge17  1  0.579  0.327  0.665  1.0
[/CIF]
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The compound described by TiFeGe crystallizes in the orthorhombic Ima2 space group. There are three inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 5-coordinate geometry to two equivalent Fe(1), two equivalent Fe(2), two equivalent Ge(1), and four equivalent Ge(2) atoms. In the second Ti site, Ti(2) is bonded in a 9-coordinate geometry to two equivalent Fe(1), two equivalent Fe(2), one Ge(1), and four equivalent Ge(2) atoms. In the third Ti site, Ti(3) is bonded in a 11-coordinate geometry to two equivalent Fe(1), four equivalent Fe(2), one Ge(1), and four equivalent Ge(2) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 12-coordinate geometry to two equivalent Ti(1), two equivalent Ti(2), two equivalent Ti(3), two equivalent Fe(2), two equivalent Ge(1), and two equivalent Ge(2) atoms. In the second Fe site, Fe(2) is bonded in a 8-coordinate geometry to one Ti(1), one Ti(2), two equivalent Ti(3), one Fe(1), two equivalent Ge(1), and two equivalent Ge(2) atoms. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a 10-coordinate geometry to one Ti(2), one Ti(3), two equivalent Ti(1), two equivalent Fe(1), and four equivalent Fe(2) atoms. In the second Ge site, Ge(2) is bonded in a 9-coordinate geometry to two equivalent Ti(1), two equivalent Ti(2), two equivalent Ti(3), one Fe(1), and two equivalent Fe(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_TiFeGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.406
_cell_length_b   7.098
_cell_length_c   7.282
_cell_angle_alpha   119.167
_cell_angle_beta   116.095
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   249.790
_cell_formula_units_Z   6
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  0.241  0.476  0.453  1.0
  Ti  Ti1  1  0.788  0.524  0.547  1.0
  Ti  Ti2  1  0.663  0.749  0.998  1.0
  Ti  Ti3  1  0.665  0.251  0.002  1.0
  Ti  Ti4  1  0.854  0.054  0.607  1.0
  Ti  Ti5  1  0.246  0.946  0.393  1.0
  Fe  Fe6  1  0.001  0.000  0.000  1.0
  Fe  Fe7  1  0.001  0.500  0.000  1.0
  Fe  Fe8  1  0.495  0.661  0.246  1.0
  Fe  Fe9  1  0.249  0.339  0.754  1.0
  Fe  Fe10  1  0.249  0.914  0.754  1.0
  Fe  Fe11  1  0.495  0.086  0.246  1.0
  Ge  Ge12  1  0.286  0.282  0.064  1.0
  Ge  Ge13  1  0.222  0.718  0.936  1.0
  Ge  Ge14  1  0.579  0.839  0.665  1.0
  Ge  Ge15  1  0.913  0.161  0.335  1.0
  Ge  Ge16  1  0.913  0.673  0.335  1.0
  Ge  Ge17  1  0.579  0.327  0.665  1.0
[/CIF]
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