The structure described by TiNi(TiCo) crystallizes in the orthorhombic Imm2 space group. There are six inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 6-coordinate geometry to four equivalent Ti(6), two equivalent Co(2), two equivalent Co(3), and two equivalent Ni(3) atoms. In the second Ti site, Ti(2) is bonded in a 6-coordinate geometry to four equivalent Ti(6), two equivalent Co(1), two equivalent Ni(1), and two equivalent Ni(2) atoms. In the third Ti site, Ti(3) is bonded in a 6-coordinate geometry to two equivalent Ti(6), one Co(1), one Co(2), one Co(3), one Ni(1), one Ni(2), and one Ni(3) atom. In the fourth Ti site, Ti(4) is bonded in a 6-coordinate geometry to four equivalent Ti(6), two equivalent Co(2), two equivalent Ni(1), and two equivalent Ni(2) atoms. In the fifth Ti site, Ti(5) is bonded in a 6-coordinate geometry to four equivalent Ti(6), two equivalent Co(1), two equivalent Co(3), and two equivalent Ni(3) atoms. In the sixth Ti site, Ti(6) is bonded in a 14-coordinate geometry to one Ti(1), one Ti(2), one Ti(4), one Ti(5), two equivalent Ti(3), two equivalent Ti(6), one Co(1), one Co(2), one Co(3), one Ni(1), one Ni(2), and one Ni(3) atom. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to one Ti(2), one Ti(5), two equivalent Ti(3), two equivalent Ti(6), one Co(3), one Ni(2), two equivalent Ni(1), and two equivalent Ni(3) atoms to form CoTi6CoNi5 cuboctahedra that share faces with two equivalent Co(1)Ti6CoNi5 cuboctahedra and faces with four equivalent Co(2)Ti6Co2Ni4 cuboctahedra. In the second Co site, Co(2) is bonded to one Ti(1), one Ti(4), two equivalent Ti(3), two equivalent Ti(6), two equivalent Co(3), one Ni(1), one Ni(3), and two equivalent Ni(2) atoms to form CoTi6Co2Ni4 cuboctahedra that share faces with two equivalent Co(2)Ti6Co2Ni4 cuboctahedra and faces with four equivalent Co(1)Ti6CoNi5 cuboctahedra. In the third Co site, Co(3) is bonded in a 12-coordinate geometry to one Ti(1), one Ti(5), two equivalent Ti(3), two equivalent Ti(6), one Co(1), one Co(3), two equivalent Co(2), and two equivalent Ni(1) atoms. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 12-coordinate geometry to one Ti(2), one Ti(4), two equivalent Ti(3), two equivalent Ti(6), one Co(2), two equivalent Co(1), two equivalent Co(3), and one Ni(1) atom. In the second Ni site, Ni(2) is bonded in a 9-coordinate geometry to one Ti(2), one Ti(4), two equivalent Ti(3), two equivalent Ti(6), one Co(1), two equivalent Co(2), and two equivalent Ni(3) atoms. In the third Ni site, Ni(3) is bonded in a 12-coordinate geometry to one Ti(1), one Ti(5), two equivalent Ti(3), two equivalent Ti(6), one Co(2), two equivalent Co(1), one Ni(3), and two equivalent Ni(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ti2CoNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.717
_cell_length_b   7.717
_cell_length_c   7.717
_cell_angle_alpha   120.015
_cell_angle_beta   119.899
_cell_angle_gamma   90.075
_symmetry_Int_Tables_number   1
_cell_volume   325.156
_cell_formula_units_Z   6
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  0.073  0.073  0.000  1.0
  Ti  Ti1  1  0.675  0.675  0.000  1.0
  Ti  Ti2  1  0.676  0.074  1.000  1.0
  Ti  Ti3  1  0.075  0.676  0.000  1.0
  Ti  Ti4  1  0.075  0.074  0.399  1.0
  Ti  Ti5  1  0.676  0.676  0.601  1.0
  Ti  Ti6  1  0.428  0.928  0.500  1.0
  Ti  Ti7  1  0.821  0.321  0.500  1.0
  Ti  Ti8  1  0.825  0.931  0.503  1.0
  Ti  Ti9  1  0.428  0.322  0.497  1.0
  Ti  Ti10  1  0.428  0.931  0.107  1.0
  Ti  Ti11  1  0.825  0.322  0.893  1.0
  Co  Co12  1  0.247  0.499  0.748  1.0
  Co  Co13  1  0.751  0.499  0.252  1.0
  Co  Co14  1  0.249  0.498  0.249  1.0
  Co  Co15  1  0.249  0.000  0.751  1.0
  Co  Co16  1  0.462  0.289  0.173  1.0
  Co  Co17  1  0.116  0.289  0.827  1.0
  Ni  Ni18  1  0.461  0.290  0.829  1.0
  Ni  Ni19  1  0.461  0.631  0.171  1.0
  Ni  Ni20  1  0.038  0.712  0.326  1.0
  Ni  Ni21  1  0.386  0.712  0.674  1.0
  Ni  Ni22  1  0.038  0.711  0.672  1.0
  Ni  Ni23  1  0.038  0.366  0.328  1.0
[/CIF]
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The structure described by TiNi(TiCo) crystallizes in the orthorhombic Imm2 space group. There are six inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 6-coordinate geometry to four equivalent Ti(6), two equivalent Co(2), two equivalent Co(3), and two equivalent Ni(3) atoms. In the second Ti site, Ti(2) is bonded in a 6-coordinate geometry to four equivalent Ti(6), two equivalent Co(1), two equivalent Ni(1), and two equivalent Ni(2) atoms. In the third Ti site, Ti(3) is bonded in a 6-coordinate geometry to two equivalent Ti(6), one Co(1), one Co(2), one Co(3), one Ni(1), one Ni(2), and one Ni(3) atom. In the fourth Ti site, Ti(4) is bonded in a 6-coordinate geometry to four equivalent Ti(6), two equivalent Co(2), two equivalent Ni(1), and two equivalent Ni(2) atoms. In the fifth Ti site, Ti(5) is bonded in a 6-coordinate geometry to four equivalent Ti(6), two equivalent Co(1), two equivalent Co(3), and two equivalent Ni(3) atoms. In the sixth Ti site, Ti(6) is bonded in a 14-coordinate geometry to one Ti(1), one Ti(2), one Ti(4), one Ti(5), two equivalent Ti(3), two equivalent Ti(6), one Co(1), one Co(2), one Co(3), one Ni(1), one Ni(2), and one Ni(3) atom. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to one Ti(2), one Ti(5), two equivalent Ti(3), two equivalent Ti(6), one Co(3), one Ni(2), two equivalent Ni(1), and two equivalent Ni(3) atoms to form CoTi6CoNi5 cuboctahedra that share faces with two equivalent Co(1)Ti6CoNi5 cuboctahedra and faces with four equivalent Co(2)Ti6Co2Ni4 cuboctahedra. In the second Co site, Co(2) is bonded to one Ti(1), one Ti(4), two equivalent Ti(3), two equivalent Ti(6), two equivalent Co(3), one Ni(1), one Ni(3), and two equivalent Ni(2) atoms to form CoTi6Co2Ni4 cuboctahedra that share faces with two equivalent Co(2)Ti6Co2Ni4 cuboctahedra and faces with four equivalent Co(1)Ti6CoNi5 cuboctahedra. In the third Co site, Co(3) is bonded in a 12-coordinate geometry to one Ti(1), one Ti(5), two equivalent Ti(3), two equivalent Ti(6), one Co(1), one Co(3), two equivalent Co(2), and two equivalent Ni(1) atoms. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 12-coordinate geometry to one Ti(2), one Ti(4), two equivalent Ti(3), two equivalent Ti(6), one Co(2), two equivalent Co(1), two equivalent Co(3), and one Ni(1) atom. In the second Ni site, Ni(2) is bonded in a 9-coordinate geometry to one Ti(2), one Ti(4), two equivalent Ti(3), two equivalent Ti(6), one Co(1), two equivalent Co(2), and two equivalent Ni(3) atoms. In the third Ni site, Ni(3) is bonded in a 12-coordinate geometry to one Ti(1), one Ti(5), two equivalent Ti(3), two equivalent Ti(6), one Co(2), two equivalent Co(1), one Ni(3), and two equivalent Ni(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ti2CoNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.717
_cell_length_b   7.717
_cell_length_c   7.717
_cell_angle_alpha   120.015
_cell_angle_beta   119.899
_cell_angle_gamma   90.075
_symmetry_Int_Tables_number   1
_cell_volume   325.156
_cell_formula_units_Z   6
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  0.073  0.073  0.000  1.0
  Ti  Ti1  1  0.675  0.675  0.000  1.0
  Ti  Ti2  1  0.676  0.074  1.000  1.0
  Ti  Ti3  1  0.075  0.676  0.000  1.0
  Ti  Ti4  1  0.075  0.074  0.399  1.0
  Ti  Ti5  1  0.676  0.676  0.601  1.0
  Ti  Ti6  1  0.428  0.928  0.500  1.0
  Ti  Ti7  1  0.821  0.321  0.500  1.0
  Ti  Ti8  1  0.825  0.931  0.503  1.0
  Ti  Ti9  1  0.428  0.322  0.497  1.0
  Ti  Ti10  1  0.428  0.931  0.107  1.0
  Ti  Ti11  1  0.825  0.322  0.893  1.0
  Co  Co12  1  0.247  0.499  0.748  1.0
  Co  Co13  1  0.751  0.499  0.252  1.0
  Co  Co14  1  0.249  0.498  0.249  1.0
  Co  Co15  1  0.249  0.000  0.751  1.0
  Co  Co16  1  0.462  0.289  0.173  1.0
  Co  Co17  1  0.116  0.289  0.827  1.0
  Ni  Ni18  1  0.461  0.290  0.829  1.0
  Ni  Ni19  1  0.461  0.631  0.171  1.0
  Ni  Ni20  1  0.038  0.712  0.326  1.0
  Ni  Ni21  1  0.386  0.712  0.674  1.0
  Ni  Ni22  1  0.038  0.711  0.672  1.0
  Ni  Ni23  1  0.038  0.366  0.328  1.0
[/CIF]
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