The crystal structure described by Al3GeTi crystallizes in the tetragonal P4mm space group. Ti(1) is bonded to four equivalent Ti(1), two equivalent Al(2), two equivalent Al(3), two equivalent Al(4), and two equivalent Ge(1) atoms to form distorted TiTi4Al6Ge2 cuboctahedra that share corners with four equivalent Ti(1)Ti4Al6Ge2 cuboctahedra, corners with four equivalent Al(5)Al10Ge2 cuboctahedra, corners with two equivalent Al(1)Al4Ge5 square pyramids, edges with four equivalent Al(5)Al10Ge2 cuboctahedra, edges with four equivalent Al(3)Ti4Al8 cuboctahedra, edges with four equivalent Al(4)Ti4Al8 cuboctahedra,  a faceface with one Al(5)Al10Ge2 cuboctahedra, faces with two equivalent Al(3)Ti4Al8 cuboctahedra, faces with two equivalent Al(4)Ti4Al8 cuboctahedra, and faces with eight equivalent Ti(1)Ti4Al6Ge2 cuboctahedra. There are five inequivalent Al sites. In the first Al site, Al(1) is bonded to four equivalent Al(5), one Ge(1), and four equivalent Ge(2) atoms to form distorted AlAl4Ge5 square pyramids that share corners with four equivalent Ti(1)Ti4Al6Ge2 cuboctahedra, corners with four equivalent Al(3)Ti4Al8 cuboctahedra, corners with four equivalent Al(1)Al4Ge5 square pyramids, edges with four equivalent Al(4)Ti4Al8 cuboctahedra, edges with eight equivalent Al(5)Al10Ge2 cuboctahedra,  a faceface with one Al(3)Ti4Al8 cuboctahedra, faces with four equivalent Al(5)Al10Ge2 cuboctahedra, and faces with four equivalent Al(1)Al4Ge5 square pyramids. In the second Al site, Al(2) is bonded in a 9-coordinate geometry to four equivalent Ti(1), one Ge(2), and four equivalent Ge(1) atoms. In the third Al site, Al(3) is bonded to four equivalent Ti(1), four equivalent Al(4), and four equivalent Al(5) atoms to form AlTi4Al8 cuboctahedra that share corners with four equivalent Al(3)Ti4Al8 cuboctahedra, corners with four equivalent Al(1)Al4Ge5 square pyramids, edges with eight equivalent Ti(1)Ti4Al6Ge2 cuboctahedra, edges with eight equivalent Al(5)Al10Ge2 cuboctahedra, faces with four equivalent Ti(1)Ti4Al6Ge2 cuboctahedra, faces with four equivalent Al(5)Al10Ge2 cuboctahedra, faces with four equivalent Al(3)Ti4Al8 cuboctahedra, faces with four equivalent Al(4)Ti4Al8 cuboctahedra, and  a faceface with one Al(1)Al4Ge5 square pyramid. In the fourth Al site, Al(4) is bonded to four equivalent Ti(1), four equivalent Al(3), and four equivalent Al(5) atoms to form AlTi4Al8 cuboctahedra that share corners with four equivalent Al(4)Ti4Al8 cuboctahedra, edges with eight equivalent Ti(1)Ti4Al6Ge2 cuboctahedra, edges with eight equivalent Al(5)Al10Ge2 cuboctahedra, edges with four equivalent Al(1)Al4Ge5 square pyramids, faces with four equivalent Ti(1)Ti4Al6Ge2 cuboctahedra, faces with four equivalent Al(5)Al10Ge2 cuboctahedra, faces with four equivalent Al(3)Ti4Al8 cuboctahedra, and faces with four equivalent Al(4)Ti4Al8 cuboctahedra. In the fifth Al site, Al(5) is bonded to two equivalent Al(1), two equivalent Al(3), two equivalent Al(4), four equivalent Al(5), and two equivalent Ge(2) atoms to form distorted AlAl10Ge2 cuboctahedra that share corners with four equivalent Ti(1)Ti4Al6Ge2 cuboctahedra, corners with four equivalent Al(5)Al10Ge2 cuboctahedra, edges with four equivalent Ti(1)Ti4Al6Ge2 cuboctahedra, edges with four equivalent Al(3)Ti4Al8 cuboctahedra, edges with four equivalent Al(4)Ti4Al8 cuboctahedra, edges with four equivalent Al(1)Al4Ge5 square pyramids,  a faceface with one Ti(1)Ti4Al6Ge2 cuboctahedra, faces with two equivalent Al(3)Ti4Al8 cuboctahedra, faces with two equivalent Al(4)Ti4Al8 cuboctahedra, faces with eight equivalent Al(5)Al10Ge2 cuboctahedra, and faces with two equivalent Al(1)Al4Ge5 square pyramids. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a 9-coordinate geometry to four equivalent Ti(1), one Al(1), and four equivalent Al(2) atoms. In the second Ge site, Ge(2) is bonded in a 9-coordinate geometry to one Al(2), four equivalent Al(1), and four equivalent Al(5) atoms. is represented by the CIF file [CIF]
data_TiAl3Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.005
_cell_length_b   4.005
_cell_length_c   10.591
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   169.907
_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  0.500  0.000  0.195  1.0
  Ti  Ti1  1  0.000  0.500  0.195  1.0
  Al  Al2  1  0.500  0.500  0.609  1.0
  Al  Al3  1  0.000  0.000  0.383  1.0
  Al  Al4  1  0.500  0.500  0.003  1.0
  Al  Al5  1  0.000  0.000  0.003  1.0
  Al  Al6  1  0.000  0.500  0.808  1.0
  Al  Al7  1  0.500  0.000  0.808  1.0
  Ge  Ge8  1  0.500  0.500  0.369  1.0
  Ge  Ge9  1  0.000  0.000  0.626  1.0
[/CIF]
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The crystal structure described by Al3GeTi crystallizes in the tetragonal P4mm space group. Ti(1) is bonded to four equivalent Ti(1), two equivalent Al(2), two equivalent Al(3), two equivalent Al(4), and two equivalent Ge(1) atoms to form distorted TiTi4Al6Ge2 cuboctahedra that share corners with four equivalent Ti(1)Ti4Al6Ge2 cuboctahedra, corners with four equivalent Al(5)Al10Ge2 cuboctahedra, corners with two equivalent Al(1)Al4Ge5 square pyramids, edges with four equivalent Al(5)Al10Ge2 cuboctahedra, edges with four equivalent Al(3)Ti4Al8 cuboctahedra, edges with four equivalent Al(4)Ti4Al8 cuboctahedra,  a faceface with one Al(5)Al10Ge2 cuboctahedra, faces with two equivalent Al(3)Ti4Al8 cuboctahedra, faces with two equivalent Al(4)Ti4Al8 cuboctahedra, and faces with eight equivalent Ti(1)Ti4Al6Ge2 cuboctahedra. There are five inequivalent Al sites. In the first Al site, Al(1) is bonded to four equivalent Al(5), one Ge(1), and four equivalent Ge(2) atoms to form distorted AlAl4Ge5 square pyramids that share corners with four equivalent Ti(1)Ti4Al6Ge2 cuboctahedra, corners with four equivalent Al(3)Ti4Al8 cuboctahedra, corners with four equivalent Al(1)Al4Ge5 square pyramids, edges with four equivalent Al(4)Ti4Al8 cuboctahedra, edges with eight equivalent Al(5)Al10Ge2 cuboctahedra,  a faceface with one Al(3)Ti4Al8 cuboctahedra, faces with four equivalent Al(5)Al10Ge2 cuboctahedra, and faces with four equivalent Al(1)Al4Ge5 square pyramids. In the second Al site, Al(2) is bonded in a 9-coordinate geometry to four equivalent Ti(1), one Ge(2), and four equivalent Ge(1) atoms. In the third Al site, Al(3) is bonded to four equivalent Ti(1), four equivalent Al(4), and four equivalent Al(5) atoms to form AlTi4Al8 cuboctahedra that share corners with four equivalent Al(3)Ti4Al8 cuboctahedra, corners with four equivalent Al(1)Al4Ge5 square pyramids, edges with eight equivalent Ti(1)Ti4Al6Ge2 cuboctahedra, edges with eight equivalent Al(5)Al10Ge2 cuboctahedra, faces with four equivalent Ti(1)Ti4Al6Ge2 cuboctahedra, faces with four equivalent Al(5)Al10Ge2 cuboctahedra, faces with four equivalent Al(3)Ti4Al8 cuboctahedra, faces with four equivalent Al(4)Ti4Al8 cuboctahedra, and  a faceface with one Al(1)Al4Ge5 square pyramid. In the fourth Al site, Al(4) is bonded to four equivalent Ti(1), four equivalent Al(3), and four equivalent Al(5) atoms to form AlTi4Al8 cuboctahedra that share corners with four equivalent Al(4)Ti4Al8 cuboctahedra, edges with eight equivalent Ti(1)Ti4Al6Ge2 cuboctahedra, edges with eight equivalent Al(5)Al10Ge2 cuboctahedra, edges with four equivalent Al(1)Al4Ge5 square pyramids, faces with four equivalent Ti(1)Ti4Al6Ge2 cuboctahedra, faces with four equivalent Al(5)Al10Ge2 cuboctahedra, faces with four equivalent Al(3)Ti4Al8 cuboctahedra, and faces with four equivalent Al(4)Ti4Al8 cuboctahedra. In the fifth Al site, Al(5) is bonded to two equivalent Al(1), two equivalent Al(3), two equivalent Al(4), four equivalent Al(5), and two equivalent Ge(2) atoms to form distorted AlAl10Ge2 cuboctahedra that share corners with four equivalent Ti(1)Ti4Al6Ge2 cuboctahedra, corners with four equivalent Al(5)Al10Ge2 cuboctahedra, edges with four equivalent Ti(1)Ti4Al6Ge2 cuboctahedra, edges with four equivalent Al(3)Ti4Al8 cuboctahedra, edges with four equivalent Al(4)Ti4Al8 cuboctahedra, edges with four equivalent Al(1)Al4Ge5 square pyramids,  a faceface with one Ti(1)Ti4Al6Ge2 cuboctahedra, faces with two equivalent Al(3)Ti4Al8 cuboctahedra, faces with two equivalent Al(4)Ti4Al8 cuboctahedra, faces with eight equivalent Al(5)Al10Ge2 cuboctahedra, and faces with two equivalent Al(1)Al4Ge5 square pyramids. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a 9-coordinate geometry to four equivalent Ti(1), one Al(1), and four equivalent Al(2) atoms. In the second Ge site, Ge(2) is bonded in a 9-coordinate geometry to one Al(2), four equivalent Al(1), and four equivalent Al(5) atoms. is represented by the CIF file [CIF]
data_TiAl3Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.005
_cell_length_b   4.005
_cell_length_c   10.591
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   169.907
_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  0.500  0.000  0.195  1.0
  Ti  Ti1  1  0.000  0.500  0.195  1.0
  Al  Al2  1  0.500  0.500  0.609  1.0
  Al  Al3  1  0.000  0.000  0.383  1.0
  Al  Al4  1  0.500  0.500  0.003  1.0
  Al  Al5  1  0.000  0.000  0.003  1.0
  Al  Al6  1  0.000  0.500  0.808  1.0
  Al  Al7  1  0.500  0.000  0.808  1.0
  Ge  Ge8  1  0.500  0.500  0.369  1.0
  Ge  Ge9  1  0.000  0.000  0.626  1.0
[/CIF]
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