The material described by Ti4CoNi crystallizes in the cubic F-43m space group. There are three inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 6-coordinate geometry to three equivalent Ti(2), three equivalent Co(1), and three equivalent Ni(1) atoms. In the second Ti site, Ti(2) is bonded in a 14-coordinate geometry to two equivalent Ti(1), four equivalent Ti(2), four equivalent Ti(3), two equivalent Co(1), and two equivalent Ni(1) atoms. In the third Ti site, Ti(3) is bonded in a 2-coordinate geometry to four equivalent Ti(2), two equivalent Co(1), and two equivalent Ni(1) atoms. Co(1) is bonded in a 9-coordinate geometry to three equivalent Ti(1), three equivalent Ti(2), and three equivalent Ti(3) atoms. Ni(1) is bonded in a 12-coordinate geometry to three equivalent Ti(1), three equivalent Ti(2), three equivalent Ti(3), and three equivalent Ni(1) atoms. is represented by the CIF file [CIF]
data_Ti4CoNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.927
_cell_length_b   7.927
_cell_length_c   7.927
_cell_angle_alpha   60.000
_cell_angle_beta   60.001
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   352.266
_cell_formula_units_Z   4
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  0.101  0.633  0.633  1.0
  Ti  Ti1  1  0.633  0.101  0.633  1.0
  Ti  Ti2  1  0.633  0.633  0.633  1.0
  Ti  Ti3  1  0.633  0.633  0.101  1.0
  Ti  Ti4  1  0.437  0.437  0.063  1.0
  Ti  Ti5  1  0.063  0.063  0.437  1.0
  Ti  Ti6  1  0.437  0.063  0.063  1.0
  Ti  Ti7  1  0.063  0.437  0.437  1.0
  Ti  Ti8  1  0.063  0.437  0.063  1.0
  Ti  Ti9  1  0.437  0.063  0.437  1.0
  Ti  Ti10  1  0.813  0.813  0.187  1.0
  Ti  Ti11  1  0.187  0.187  0.813  1.0
  Ti  Ti12  1  0.813  0.187  0.187  1.0
  Ti  Ti13  1  0.187  0.813  0.813  1.0
  Ti  Ti14  1  0.187  0.813  0.187  1.0
  Ti  Ti15  1  0.813  0.187  0.813  1.0
  Co  Co16  1  0.452  0.849  0.849  1.0
  Co  Co17  1  0.849  0.452  0.849  1.0
  Co  Co18  1  0.849  0.849  0.849  1.0
  Co  Co19  1  0.849  0.849  0.452  1.0
  Ni  Ni20  1  0.758  0.414  0.414  1.0
  Ni  Ni21  1  0.414  0.758  0.414  1.0
  Ni  Ni22  1  0.414  0.414  0.414  1.0
  Ni  Ni23  1  0.414  0.414  0.758  1.0
[/CIF]
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The material described by Ti4CoNi crystallizes in the cubic F-43m space group. There are three inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 6-coordinate geometry to three equivalent Ti(2), three equivalent Co(1), and three equivalent Ni(1) atoms. In the second Ti site, Ti(2) is bonded in a 14-coordinate geometry to two equivalent Ti(1), four equivalent Ti(2), four equivalent Ti(3), two equivalent Co(1), and two equivalent Ni(1) atoms. In the third Ti site, Ti(3) is bonded in a 2-coordinate geometry to four equivalent Ti(2), two equivalent Co(1), and two equivalent Ni(1) atoms. Co(1) is bonded in a 9-coordinate geometry to three equivalent Ti(1), three equivalent Ti(2), and three equivalent Ti(3) atoms. Ni(1) is bonded in a 12-coordinate geometry to three equivalent Ti(1), three equivalent Ti(2), three equivalent Ti(3), and three equivalent Ni(1) atoms. is represented by the CIF file [CIF]
data_Ti4CoNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.927
_cell_length_b   7.927
_cell_length_c   7.927
_cell_angle_alpha   60.000
_cell_angle_beta   60.001
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   352.266
_cell_formula_units_Z   4
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  0.101  0.633  0.633  1.0
  Ti  Ti1  1  0.633  0.101  0.633  1.0
  Ti  Ti2  1  0.633  0.633  0.633  1.0
  Ti  Ti3  1  0.633  0.633  0.101  1.0
  Ti  Ti4  1  0.437  0.437  0.063  1.0
  Ti  Ti5  1  0.063  0.063  0.437  1.0
  Ti  Ti6  1  0.437  0.063  0.063  1.0
  Ti  Ti7  1  0.063  0.437  0.437  1.0
  Ti  Ti8  1  0.063  0.437  0.063  1.0
  Ti  Ti9  1  0.437  0.063  0.437  1.0
  Ti  Ti10  1  0.813  0.813  0.187  1.0
  Ti  Ti11  1  0.187  0.187  0.813  1.0
  Ti  Ti12  1  0.813  0.187  0.187  1.0
  Ti  Ti13  1  0.187  0.813  0.813  1.0
  Ti  Ti14  1  0.187  0.813  0.187  1.0
  Ti  Ti15  1  0.813  0.187  0.813  1.0
  Co  Co16  1  0.452  0.849  0.849  1.0
  Co  Co17  1  0.849  0.452  0.849  1.0
  Co  Co18  1  0.849  0.849  0.849  1.0
  Co  Co19  1  0.849  0.849  0.452  1.0
  Ni  Ni20  1  0.758  0.414  0.414  1.0
  Ni  Ni21  1  0.414  0.758  0.414  1.0
  Ni  Ni22  1  0.414  0.414  0.414  1.0
  Ni  Ni23  1  0.414  0.414  0.758  1.0
[/CIF]
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