The crystal structure described by Ti4AgCu crystallizes in the tetragonal P4/mmm space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to four equivalent Ti(1), four equivalent Ti(2), and four equivalent Ag(1) atoms to form distorted TiTi8Ag4 cuboctahedra that share corners with eight equivalent Ti(1)Ti8Ag4 cuboctahedra, edges with four equivalent Ti(1)Ti8Ag4 cuboctahedra, edges with eight equivalent Ag(1)Ti8Ag4 cuboctahedra, faces with four equivalent Ag(1)Ti8Ag4 cuboctahedra, and faces with nine equivalent Ti(1)Ti8Ag4 cuboctahedra. In the second Ti site, Ti(2) is bonded in a 4-coordinate geometry to four equivalent Ti(1) and four equivalent Cu(1) atoms. Ag(1) is bonded to eight equivalent Ti(1) and four equivalent Ag(1) atoms to form distorted AgTi8Ag4 cuboctahedra that share corners with four equivalent Ag(1)Ti8Ag4 cuboctahedra, edges with sixteen equivalent Ti(1)Ti8Ag4 cuboctahedra, faces with eight equivalent Ti(1)Ti8Ag4 cuboctahedra, and faces with eight equivalent Ag(1)Ti8Ag4 cuboctahedra. Cu(1) is bonded in a distorted body-centered cubic geometry to eight equivalent Ti(2) atoms. is represented by the CIF file [CIF]
data_Ti4CuAg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.934
_cell_length_b   2.934
_cell_length_c   11.255
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   96.869
_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  0.500  0.500  0.181  1.0
  Ti  Ti1  1  0.000  0.000  0.652  1.0
  Ti  Ti2  1  0.000  0.000  0.348  1.0
  Ti  Ti3  1  0.500  0.500  0.819  1.0
  Cu  Cu4  1  0.500  0.500  0.500  1.0
  Ag  Ag5  1  0.000  0.000  0.000  1.0
[/CIF]
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The crystal structure described by Ti4AgCu crystallizes in the tetragonal P4/mmm space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to four equivalent Ti(1), four equivalent Ti(2), and four equivalent Ag(1) atoms to form distorted TiTi8Ag4 cuboctahedra that share corners with eight equivalent Ti(1)Ti8Ag4 cuboctahedra, edges with four equivalent Ti(1)Ti8Ag4 cuboctahedra, edges with eight equivalent Ag(1)Ti8Ag4 cuboctahedra, faces with four equivalent Ag(1)Ti8Ag4 cuboctahedra, and faces with nine equivalent Ti(1)Ti8Ag4 cuboctahedra. In the second Ti site, Ti(2) is bonded in a 4-coordinate geometry to four equivalent Ti(1) and four equivalent Cu(1) atoms. Ag(1) is bonded to eight equivalent Ti(1) and four equivalent Ag(1) atoms to form distorted AgTi8Ag4 cuboctahedra that share corners with four equivalent Ag(1)Ti8Ag4 cuboctahedra, edges with sixteen equivalent Ti(1)Ti8Ag4 cuboctahedra, faces with eight equivalent Ti(1)Ti8Ag4 cuboctahedra, and faces with eight equivalent Ag(1)Ti8Ag4 cuboctahedra. Cu(1) is bonded in a distorted body-centered cubic geometry to eight equivalent Ti(2) atoms. is represented by the CIF file [CIF]
data_Ti4CuAg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.934
_cell_length_b   2.934
_cell_length_c   11.255
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   96.869
_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  0.500  0.500  0.181  1.0
  Ti  Ti1  1  0.000  0.000  0.652  1.0
  Ti  Ti2  1  0.000  0.000  0.348  1.0
  Ti  Ti3  1  0.500  0.500  0.819  1.0
  Cu  Cu4  1  0.500  0.500  0.500  1.0
  Ag  Ag5  1  0.000  0.000  0.000  1.0
[/CIF]
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