The compound described by Ti5Nb5Ge6 crystallizes in the orthorhombic Amm2 space group. There are three inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 5-coordinate geometry to one Ge(1), two equivalent Ge(2), and two equivalent Ge(4) atoms. In the second Ti site, Ti(2) is bonded in a 5-coordinate geometry to one Ge(3), two equivalent Ge(1), and two equivalent Ge(4) atoms. In the third Ti site, Ti(3) is bonded in a 5-coordinate geometry to one Ge(3), two equivalent Ge(2), and two equivalent Ge(4) atoms. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a 6-coordinate geometry to one Ge(1), one Ge(3), two equivalent Ge(2), and two equivalent Ge(4) atoms. In the second Nb site, Nb(2) is bonded in a 5-coordinate geometry to one 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(1), two equivalent Ti(2), one Nb(2), and four equivalent Nb(1) atoms. In the second Ge site, Ge(2) is bonded in a 9-coordinate geometry to two equivalent Ti(1), two equivalent Ti(3), one Nb(2), and four equivalent Nb(1) atoms. In the third Ge site, Ge(3) is bonded in a 9-coordinate geometry to one Ti(2), two equivalent Ti(3), two equivalent Nb(2), and four equivalent Nb(1) atoms. In the fourth Ge site, Ge(4) is bonded in a 9-coordinate geometry to one Ti(2), two equivalent Ti(1), two equivalent Ti(3), and four equivalent Nb(1) atoms. is represented by the CIF file [CIF]
data_Ti5Nb5Ge6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.666
_cell_length_b   7.666
_cell_length_c   5.342
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.933
_symmetry_Int_Tables_number   1
_cell_volume   272.035
_cell_formula_units_Z   1
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  0.256  1.000  0.500  1.0
  Ti  Ti1  1  1.000  0.256  0.500  1.0
  Ti  Ti2  1  0.257  0.257  0.000  1.0
  Ti  Ti3  1  0.746  0.000  0.000  1.0
  Ti  Ti4  1  0.000  0.746  0.000  1.0
  Nb  Nb5  1  0.667  0.334  0.249  1.0
  Nb  Nb6  1  0.334  0.667  0.249  1.0
  Nb  Nb7  1  0.334  0.667  0.751  1.0
  Nb  Nb8  1  0.667  0.334  0.751  1.0
  Nb  Nb9  1  0.741  0.741  0.500  1.0
  Ge  Ge10  1  0.381  0.381  0.500  1.0
  Ge  Ge11  1  0.615  0.003  0.500  1.0
  Ge  Ge12  1  0.003  0.615  0.500  1.0
  Ge  Ge13  1  0.616  0.616  0.000  1.0
  Ge  Ge14  1  0.383  0.000  0.000  1.0
  Ge  Ge15  1  0.000  0.383  0.000  1.0
[/CIF]
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The compound described by Ti5Nb5Ge6 crystallizes in the orthorhombic Amm2 space group. There are three inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 5-coordinate geometry to one Ge(1), two equivalent Ge(2), and two equivalent Ge(4) atoms. In the second Ti site, Ti(2) is bonded in a 5-coordinate geometry to one Ge(3), two equivalent Ge(1), and two equivalent Ge(4) atoms. In the third Ti site, Ti(3) is bonded in a 5-coordinate geometry to one Ge(3), two equivalent Ge(2), and two equivalent Ge(4) atoms. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a 6-coordinate geometry to one Ge(1), one Ge(3), two equivalent Ge(2), and two equivalent Ge(4) atoms. In the second Nb site, Nb(2) is bonded in a 5-coordinate geometry to one 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(1), two equivalent Ti(2), one Nb(2), and four equivalent Nb(1) atoms. In the second Ge site, Ge(2) is bonded in a 9-coordinate geometry to two equivalent Ti(1), two equivalent Ti(3), one Nb(2), and four equivalent Nb(1) atoms. In the third Ge site, Ge(3) is bonded in a 9-coordinate geometry to one Ti(2), two equivalent Ti(3), two equivalent Nb(2), and four equivalent Nb(1) atoms. In the fourth Ge site, Ge(4) is bonded in a 9-coordinate geometry to one Ti(2), two equivalent Ti(1), two equivalent Ti(3), and four equivalent Nb(1) atoms. is represented by the CIF file [CIF]
data_Ti5Nb5Ge6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.666
_cell_length_b   7.666
_cell_length_c   5.342
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.933
_symmetry_Int_Tables_number   1
_cell_volume   272.035
_cell_formula_units_Z   1
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  0.256  1.000  0.500  1.0
  Ti  Ti1  1  1.000  0.256  0.500  1.0
  Ti  Ti2  1  0.257  0.257  0.000  1.0
  Ti  Ti3  1  0.746  0.000  0.000  1.0
  Ti  Ti4  1  0.000  0.746  0.000  1.0
  Nb  Nb5  1  0.667  0.334  0.249  1.0
  Nb  Nb6  1  0.334  0.667  0.249  1.0
  Nb  Nb7  1  0.334  0.667  0.751  1.0
  Nb  Nb8  1  0.667  0.334  0.751  1.0
  Nb  Nb9  1  0.741  0.741  0.500  1.0
  Ge  Ge10  1  0.381  0.381  0.500  1.0
  Ge  Ge11  1  0.615  0.003  0.500  1.0
  Ge  Ge12  1  0.003  0.615  0.500  1.0
  Ge  Ge13  1  0.616  0.616  0.000  1.0
  Ge  Ge14  1  0.383  0.000  0.000  1.0
  Ge  Ge15  1  0.000  0.383  0.000  1.0
[/CIF]
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