The crystal structure described by TiMnGe crystallizes in the orthorhombic Ima2 space group. There are three inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 4-coordinate geometry to one Ge(2) and four equivalent Ge(1) atoms. In the second Ti site, Ti(2) is bonded to two equivalent Ge(2) and four equivalent Ge(1) atoms to form distorted face-sharing TiGe6 square pyramids. In the third Ti site, Ti(3) is bonded in a 5-coordinate geometry to one Ge(2) and four equivalent Ge(1) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 4-coordinate geometry to two equivalent Ge(1) and two equivalent Ge(2) atoms. In the second Mn site, Mn(2) is bonded in a 4-coordinate geometry to 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 9-coordinate geometry to two equivalent Ti(1), two equivalent Ti(2), two equivalent Ti(3), one Mn(2), and two equivalent Mn(1) atoms. In the second Ge site, Ge(2) is bonded in a 10-coordinate geometry to one Ti(1), one Ti(3), two equivalent Ti(2), two equivalent Mn(2), and four equivalent Mn(1) atoms. is represented by the CIF file [CIF]
data_TiMnGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.434
_cell_length_b   7.296
_cell_length_c   7.371
_cell_angle_alpha   119.665
_cell_angle_beta   115.875
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   260.005
_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  0.894  0.948  0.395  1.0
  Ti  Ti1  1  0.498  0.052  0.605  1.0
  Ti  Ti2  1  0.509  0.521  0.543  1.0
  Ti  Ti3  1  0.966  0.479  0.457  1.0
  Ti  Ti4  1  0.085  0.749  0.998  1.0
  Ti  Ti5  1  0.087  0.251  0.002  1.0
  Mn  Mn6  1  0.263  0.919  0.758  1.0
  Mn  Mn7  1  0.505  0.081  0.242  1.0
  Mn  Mn8  1  0.263  0.339  0.758  1.0
  Mn  Mn9  1  0.505  0.661  0.242  1.0
  Mn  Mn10  1  0.740  0.500  0.000  1.0
  Mn  Mn11  1  0.740  0.000  0.000  1.0
  Ge  Ge12  1  0.172  0.672  0.333  1.0
  Ge  Ge13  1  0.839  0.328  0.667  1.0
  Ge  Ge14  1  0.172  0.161  0.333  1.0
  Ge  Ge15  1  0.839  0.839  0.667  1.0
  Ge  Ge16  1  0.456  0.714  0.927  1.0
  Ge  Ge17  1  0.529  0.286  0.073  1.0
[/CIF]
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The crystal structure described by TiMnGe crystallizes in the orthorhombic Ima2 space group. There are three inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 4-coordinate geometry to one Ge(2) and four equivalent Ge(1) atoms. In the second Ti site, Ti(2) is bonded to two equivalent Ge(2) and four equivalent Ge(1) atoms to form distorted face-sharing TiGe6 square pyramids. In the third Ti site, Ti(3) is bonded in a 5-coordinate geometry to one Ge(2) and four equivalent Ge(1) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 4-coordinate geometry to two equivalent Ge(1) and two equivalent Ge(2) atoms. In the second Mn site, Mn(2) is bonded in a 4-coordinate geometry to 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 9-coordinate geometry to two equivalent Ti(1), two equivalent Ti(2), two equivalent Ti(3), one Mn(2), and two equivalent Mn(1) atoms. In the second Ge site, Ge(2) is bonded in a 10-coordinate geometry to one Ti(1), one Ti(3), two equivalent Ti(2), two equivalent Mn(2), and four equivalent Mn(1) atoms. is represented by the CIF file [CIF]
data_TiMnGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.434
_cell_length_b   7.296
_cell_length_c   7.371
_cell_angle_alpha   119.665
_cell_angle_beta   115.875
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   260.005
_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  0.894  0.948  0.395  1.0
  Ti  Ti1  1  0.498  0.052  0.605  1.0
  Ti  Ti2  1  0.509  0.521  0.543  1.0
  Ti  Ti3  1  0.966  0.479  0.457  1.0
  Ti  Ti4  1  0.085  0.749  0.998  1.0
  Ti  Ti5  1  0.087  0.251  0.002  1.0
  Mn  Mn6  1  0.263  0.919  0.758  1.0
  Mn  Mn7  1  0.505  0.081  0.242  1.0
  Mn  Mn8  1  0.263  0.339  0.758  1.0
  Mn  Mn9  1  0.505  0.661  0.242  1.0
  Mn  Mn10  1  0.740  0.500  0.000  1.0
  Mn  Mn11  1  0.740  0.000  0.000  1.0
  Ge  Ge12  1  0.172  0.672  0.333  1.0
  Ge  Ge13  1  0.839  0.328  0.667  1.0
  Ge  Ge14  1  0.172  0.161  0.333  1.0
  Ge  Ge15  1  0.839  0.839  0.667  1.0
  Ge  Ge16  1  0.456  0.714  0.927  1.0
  Ge  Ge17  1  0.529  0.286  0.073  1.0
[/CIF]
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