The material structure described by Ti3V3Ge5 crystallizes in the orthorhombic Immm space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 7-coordinate geometry to four equivalent Ti(2), one Ge(3), two equivalent Ge(1), two equivalent Ge(2), and two equivalent Ge(4) atoms. In the second Ti site, Ti(2) is bonded in a 12-coordinate geometry to two equivalent Ti(1), two equivalent Ti(2), two equivalent V(1), two equivalent Ge(1), two equivalent Ge(3), and two equivalent Ge(4) atoms. There are two inequivalent V sites. In the first V site, V(1) is bonded in a 6-coordinate geometry to two equivalent Ti(2), two equivalent V(2), one Ge(1), one Ge(3), two equivalent Ge(2), and two equivalent Ge(4) atoms. In the second V site, V(2) is bonded in a 12-coordinate geometry to two equivalent V(2), four equivalent V(1), two equivalent Ge(3), and four equivalent Ge(4) atoms. There are four inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a 8-coordinate geometry to two equivalent Ti(1), four equivalent Ti(2), and two equivalent V(1) atoms. In the second Ge site, Ge(2) is bonded in a 8-coordinate geometry to two equivalent Ti(1), four equivalent V(1), and two equivalent Ge(2) atoms. In the third Ge site, Ge(3) is bonded in a 9-coordinate geometry to one Ti(1), four equivalent Ti(2), two equivalent V(1), and two equivalent V(2) atoms. In the fourth Ge site, Ge(4) is bonded in a 7-coordinate geometry to one Ti(1), two equivalent Ti(2), two equivalent V(1), and two equivalent V(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ti3V3Ge5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.231
_cell_length_b   8.303
_cell_length_c   9.226
_cell_angle_alpha   63.260
_cell_angle_beta   73.531
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   339.358
_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  0.348  0.348  0.303  1.0
  Ti  Ti1  1  0.652  0.652  0.697  1.0
  Ti  Ti2  1  0.500  0.000  0.500  1.0
  Ti  Ti3  1  0.000  0.500  0.500  1.0
  Ti  Ti4  1  0.500  0.500  0.500  1.0
  Ti  Ti5  1  0.000  0.000  0.500  1.0
  V  V6  1  0.082  0.810  0.836  1.0
  V  V7  1  0.082  0.353  0.836  1.0
  V  V8  1  0.918  0.647  0.164  1.0
  V  V9  1  0.918  0.190  0.164  1.0
  V  V10  1  0.761  0.000  0.000  1.0
  V  V11  1  0.239  0.000  0.000  1.0
  Ge  Ge12  1  0.199  0.699  0.602  1.0
  Ge  Ge13  1  0.801  0.301  0.398  1.0
  Ge  Ge14  1  0.744  0.500  0.000  1.0
  Ge  Ge15  1  0.256  0.500  0.000  1.0
  Ge  Ge16  1  0.162  0.162  0.675  1.0
  Ge  Ge17  1  0.838  0.838  0.325  1.0
  Ge  Ge18  1  0.397  0.086  0.206  1.0
  Ge  Ge19  1  0.397  0.708  0.206  1.0
  Ge  Ge20  1  0.603  0.292  0.794  1.0
  Ge  Ge21  1  0.603  0.914  0.794  1.0
[/CIF]
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The material structure described by Ti3V3Ge5 crystallizes in the orthorhombic Immm space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 7-coordinate geometry to four equivalent Ti(2), one Ge(3), two equivalent Ge(1), two equivalent Ge(2), and two equivalent Ge(4) atoms. In the second Ti site, Ti(2) is bonded in a 12-coordinate geometry to two equivalent Ti(1), two equivalent Ti(2), two equivalent V(1), two equivalent Ge(1), two equivalent Ge(3), and two equivalent Ge(4) atoms. There are two inequivalent V sites. In the first V site, V(1) is bonded in a 6-coordinate geometry to two equivalent Ti(2), two equivalent V(2), one Ge(1), one Ge(3), two equivalent Ge(2), and two equivalent Ge(4) atoms. In the second V site, V(2) is bonded in a 12-coordinate geometry to two equivalent V(2), four equivalent V(1), two equivalent Ge(3), and four equivalent Ge(4) atoms. There are four inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a 8-coordinate geometry to two equivalent Ti(1), four equivalent Ti(2), and two equivalent V(1) atoms. In the second Ge site, Ge(2) is bonded in a 8-coordinate geometry to two equivalent Ti(1), four equivalent V(1), and two equivalent Ge(2) atoms. In the third Ge site, Ge(3) is bonded in a 9-coordinate geometry to one Ti(1), four equivalent Ti(2), two equivalent V(1), and two equivalent V(2) atoms. In the fourth Ge site, Ge(4) is bonded in a 7-coordinate geometry to one Ti(1), two equivalent Ti(2), two equivalent V(1), and two equivalent V(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ti3V3Ge5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.231
_cell_length_b   8.303
_cell_length_c   9.226
_cell_angle_alpha   63.260
_cell_angle_beta   73.531
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   339.358
_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  0.348  0.348  0.303  1.0
  Ti  Ti1  1  0.652  0.652  0.697  1.0
  Ti  Ti2  1  0.500  0.000  0.500  1.0
  Ti  Ti3  1  0.000  0.500  0.500  1.0
  Ti  Ti4  1  0.500  0.500  0.500  1.0
  Ti  Ti5  1  0.000  0.000  0.500  1.0
  V  V6  1  0.082  0.810  0.836  1.0
  V  V7  1  0.082  0.353  0.836  1.0
  V  V8  1  0.918  0.647  0.164  1.0
  V  V9  1  0.918  0.190  0.164  1.0
  V  V10  1  0.761  0.000  0.000  1.0
  V  V11  1  0.239  0.000  0.000  1.0
  Ge  Ge12  1  0.199  0.699  0.602  1.0
  Ge  Ge13  1  0.801  0.301  0.398  1.0
  Ge  Ge14  1  0.744  0.500  0.000  1.0
  Ge  Ge15  1  0.256  0.500  0.000  1.0
  Ge  Ge16  1  0.162  0.162  0.675  1.0
  Ge  Ge17  1  0.838  0.838  0.325  1.0
  Ge  Ge18  1  0.397  0.086  0.206  1.0
  Ge  Ge19  1  0.397  0.708  0.206  1.0
  Ge  Ge20  1  0.603  0.292  0.794  1.0
  Ge  Ge21  1  0.603  0.914  0.794  1.0
[/CIF]
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