The compound described by TiVAl2 is alpha La-derived structured and crystallizes in the tetragonal P4/mmm space group. Ti(1) is bonded to four equivalent Ti(1) and eight equivalent Al(1) atoms to form TiTi4Al8 cuboctahedra that share corners with four equivalent Ti(1)Ti4Al8 cuboctahedra, corners with eight equivalent V(1)Al8V4 cuboctahedra, edges with eight equivalent V(1)Al8V4 cuboctahedra, edges with sixteen equivalent Al(1)Ti4Al4V4 cuboctahedra, faces with two equivalent V(1)Al8V4 cuboctahedra, faces with eight equivalent Ti(1)Ti4Al8 cuboctahedra, and faces with eight equivalent Al(1)Ti4Al4V4 cuboctahedra. V(1) is bonded to four equivalent V(1) and eight equivalent Al(1) atoms to form VAl8V4 cuboctahedra that share corners with four equivalent V(1)Al8V4 cuboctahedra, corners with eight equivalent Ti(1)Ti4Al8 cuboctahedra, edges with eight equivalent Ti(1)Ti4Al8 cuboctahedra, edges with sixteen equivalent Al(1)Ti4Al4V4 cuboctahedra, faces with two equivalent Ti(1)Ti4Al8 cuboctahedra, faces with eight equivalent V(1)Al8V4 cuboctahedra, and faces with eight equivalent Al(1)Ti4Al4V4 cuboctahedra. Al(1) is bonded to four equivalent Ti(1), four equivalent V(1), and four equivalent Al(1) atoms to form AlTi4Al4V4 cuboctahedra that share corners with twelve equivalent Al(1)Ti4Al4V4 cuboctahedra, edges with eight equivalent Ti(1)Ti4Al8 cuboctahedra, edges with eight equivalent V(1)Al8V4 cuboctahedra, edges with eight equivalent Al(1)Ti4Al4V4 cuboctahedra, faces with four equivalent Ti(1)Ti4Al8 cuboctahedra, faces with four equivalent V(1)Al8V4 cuboctahedra, and faces with ten equivalent Al(1)Ti4Al4V4 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_TiAl2V
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.756
_cell_length_b   2.756
_cell_length_c   8.037
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   61.059
_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  0.000  0.000  0.000  1.0
  Al  Al1  1  0.500  0.500  0.260  1.0
  Al  Al2  1  0.500  0.500  0.740  1.0
  V  V3  1  0.000  0.000  0.500  1.0
[/CIF]
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The compound described by TiVAl2 is alpha La-derived structured and crystallizes in the tetragonal P4/mmm space group. Ti(1) is bonded to four equivalent Ti(1) and eight equivalent Al(1) atoms to form TiTi4Al8 cuboctahedra that share corners with four equivalent Ti(1)Ti4Al8 cuboctahedra, corners with eight equivalent V(1)Al8V4 cuboctahedra, edges with eight equivalent V(1)Al8V4 cuboctahedra, edges with sixteen equivalent Al(1)Ti4Al4V4 cuboctahedra, faces with two equivalent V(1)Al8V4 cuboctahedra, faces with eight equivalent Ti(1)Ti4Al8 cuboctahedra, and faces with eight equivalent Al(1)Ti4Al4V4 cuboctahedra. V(1) is bonded to four equivalent V(1) and eight equivalent Al(1) atoms to form VAl8V4 cuboctahedra that share corners with four equivalent V(1)Al8V4 cuboctahedra, corners with eight equivalent Ti(1)Ti4Al8 cuboctahedra, edges with eight equivalent Ti(1)Ti4Al8 cuboctahedra, edges with sixteen equivalent Al(1)Ti4Al4V4 cuboctahedra, faces with two equivalent Ti(1)Ti4Al8 cuboctahedra, faces with eight equivalent V(1)Al8V4 cuboctahedra, and faces with eight equivalent Al(1)Ti4Al4V4 cuboctahedra. Al(1) is bonded to four equivalent Ti(1), four equivalent V(1), and four equivalent Al(1) atoms to form AlTi4Al4V4 cuboctahedra that share corners with twelve equivalent Al(1)Ti4Al4V4 cuboctahedra, edges with eight equivalent Ti(1)Ti4Al8 cuboctahedra, edges with eight equivalent V(1)Al8V4 cuboctahedra, edges with eight equivalent Al(1)Ti4Al4V4 cuboctahedra, faces with four equivalent Ti(1)Ti4Al8 cuboctahedra, faces with four equivalent V(1)Al8V4 cuboctahedra, and faces with ten equivalent Al(1)Ti4Al4V4 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_TiAl2V
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.756
_cell_length_b   2.756
_cell_length_c   8.037
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   61.059
_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  0.000  0.000  0.000  1.0
  Al  Al1  1  0.500  0.500  0.260  1.0
  Al  Al2  1  0.500  0.500  0.740  1.0
  V  V3  1  0.000  0.000  0.500  1.0
[/CIF]
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