The crystal structure described by TiRuGe crystallizes in the orthorhombic Ima2 space group. There are three inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 11-coordinate geometry to two equivalent Ru(1), four equivalent Ru(2), one Ge(1), and four equivalent Ge(2) atoms. In the second Ti site, Ti(2) is bonded in a 7-coordinate geometry to two equivalent Ru(2), one Ge(1), and four equivalent Ge(2) atoms. In the third Ti site, Ti(3) is bonded in a 9-coordinate geometry to two equivalent Ru(1), two equivalent Ru(2), one Ge(1), and four equivalent Ge(2) atoms. There are two inequivalent Ru sites. In the first Ru site, Ru(1) is bonded in a 8-coordinate geometry to two equivalent Ti(1), two equivalent Ti(3), two equivalent Ge(1), and two equivalent Ge(2) atoms. In the second Ru site, Ru(2) is bonded in a 8-coordinate geometry to one Ti(2), one Ti(3), two equivalent Ti(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 8-coordinate geometry to one Ti(1), one Ti(2), one Ti(3), two equivalent Ru(1), and four equivalent Ru(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 Ru(1), and two equivalent Ru(2) atoms. is represented by the CIF card [CIF]
data_TiGeRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.542
_cell_length_b   7.542
_cell_length_c   7.542
_cell_angle_alpha   127.966
_cell_angle_beta   122.606
_cell_angle_gamma   81.138
_symmetry_Int_Tables_number   1
_cell_volume   274.535
_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  0.555  0.104  0.049  1.0
  Ti  Ti1  1  0.445  0.494  0.549  1.0
  Ti  Ti2  1  0.973  0.494  0.021  1.0
  Ti  Ti3  1  0.027  0.048  0.521  1.0
  Ti  Ti4  1  0.752  0.917  0.666  1.0
  Ti  Ti5  1  0.248  0.914  0.166  1.0
  Ge  Ge6  1  0.782  0.537  0.256  1.0
  Ge  Ge7  1  0.218  0.474  0.756  1.0
  Ge  Ge8  1  0.336  0.828  0.499  1.0
  Ge  Ge9  1  0.664  0.163  0.491  1.0
  Ge  Ge10  1  0.829  0.828  0.991  1.0
  Ge  Ge11  1  0.171  0.163  0.999  1.0
  Ru  Ru12  1  0.500  0.244  0.744  1.0
  Ru  Ru13  1  0.000  0.244  0.244  1.0
  Ru  Ru14  1  0.165  0.750  0.661  1.0
  Ru  Ru15  1  0.835  0.496  0.584  1.0
  Ru  Ru16  1  0.588  0.750  0.084  1.0
  Ru  Ru17  1  0.412  0.496  0.161  1.0
[/CIF]
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The crystal structure described by TiRuGe crystallizes in the orthorhombic Ima2 space group. There are three inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 11-coordinate geometry to two equivalent Ru(1), four equivalent Ru(2), one Ge(1), and four equivalent Ge(2) atoms. In the second Ti site, Ti(2) is bonded in a 7-coordinate geometry to two equivalent Ru(2), one Ge(1), and four equivalent Ge(2) atoms. In the third Ti site, Ti(3) is bonded in a 9-coordinate geometry to two equivalent Ru(1), two equivalent Ru(2), one Ge(1), and four equivalent Ge(2) atoms. There are two inequivalent Ru sites. In the first Ru site, Ru(1) is bonded in a 8-coordinate geometry to two equivalent Ti(1), two equivalent Ti(3), two equivalent Ge(1), and two equivalent Ge(2) atoms. In the second Ru site, Ru(2) is bonded in a 8-coordinate geometry to one Ti(2), one Ti(3), two equivalent Ti(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 8-coordinate geometry to one Ti(1), one Ti(2), one Ti(3), two equivalent Ru(1), and four equivalent Ru(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 Ru(1), and two equivalent Ru(2) atoms. is represented by the CIF card [CIF]
data_TiGeRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.542
_cell_length_b   7.542
_cell_length_c   7.542
_cell_angle_alpha   127.966
_cell_angle_beta   122.606
_cell_angle_gamma   81.138
_symmetry_Int_Tables_number   1
_cell_volume   274.535
_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  0.555  0.104  0.049  1.0
  Ti  Ti1  1  0.445  0.494  0.549  1.0
  Ti  Ti2  1  0.973  0.494  0.021  1.0
  Ti  Ti3  1  0.027  0.048  0.521  1.0
  Ti  Ti4  1  0.752  0.917  0.666  1.0
  Ti  Ti5  1  0.248  0.914  0.166  1.0
  Ge  Ge6  1  0.782  0.537  0.256  1.0
  Ge  Ge7  1  0.218  0.474  0.756  1.0
  Ge  Ge8  1  0.336  0.828  0.499  1.0
  Ge  Ge9  1  0.664  0.163  0.491  1.0
  Ge  Ge10  1  0.829  0.828  0.991  1.0
  Ge  Ge11  1  0.171  0.163  0.999  1.0
  Ru  Ru12  1  0.500  0.244  0.744  1.0
  Ru  Ru13  1  0.000  0.244  0.244  1.0
  Ru  Ru14  1  0.165  0.750  0.661  1.0
  Ru  Ru15  1  0.835  0.496  0.584  1.0
  Ru  Ru16  1  0.588  0.750  0.084  1.0
  Ru  Ru17  1  0.412  0.496  0.161  1.0
[/CIF]
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