The compound described by Ti4CoNiIn2 is Heusler-derived structured and crystallizes in the trigonal R-3m space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a body-centered cubic geometry to one Co(1), three equivalent Ni(1), and four equivalent In(1) atoms. In the second Ti site, Ti(2) is bonded in a body-centered cubic geometry to three equivalent Co(1), one Ni(1), and four equivalent In(1) atoms. Co(1) is bonded in a body-centered cubic geometry to two equivalent Ti(1) and six equivalent Ti(2) atoms. Ni(1) is bonded in a body-centered cubic geometry to two equivalent Ti(2) and six equivalent Ti(1) atoms. In(1) is bonded in a body-centered cubic geometry to four equivalent Ti(1) and four equivalent Ti(2) atoms. is represented by the CIF card [CIF]
data_Ti4In2CoNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.865
_cell_length_b   7.865
_cell_length_c   7.865
_cell_angle_alpha   33.576
_cell_angle_beta   33.576
_cell_angle_gamma   33.576
_symmetry_Int_Tables_number   1
_cell_volume   132.529
_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  0.125  0.125  0.125  1.0
  Ti  Ti1  1  0.625  0.625  0.625  1.0
  Ti  Ti2  1  0.375  0.375  0.375  1.0
  Ti  Ti3  1  0.875  0.875  0.875  1.0
  In  In4  1  0.750  0.750  0.750  1.0
  In  In5  1  0.250  0.250  0.250  1.0
  Co  Co6  1  0.000  0.000  0.000  1.0
  Ni  Ni7  1  0.500  0.500  0.500  1.0
[/CIF]
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The compound described by Ti4CoNiIn2 is Heusler-derived structured and crystallizes in the trigonal R-3m space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a body-centered cubic geometry to one Co(1), three equivalent Ni(1), and four equivalent In(1) atoms. In the second Ti site, Ti(2) is bonded in a body-centered cubic geometry to three equivalent Co(1), one Ni(1), and four equivalent In(1) atoms. Co(1) is bonded in a body-centered cubic geometry to two equivalent Ti(1) and six equivalent Ti(2) atoms. Ni(1) is bonded in a body-centered cubic geometry to two equivalent Ti(2) and six equivalent Ti(1) atoms. In(1) is bonded in a body-centered cubic geometry to four equivalent Ti(1) and four equivalent Ti(2) atoms. is represented by the CIF card [CIF]
data_Ti4In2CoNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.865
_cell_length_b   7.865
_cell_length_c   7.865
_cell_angle_alpha   33.576
_cell_angle_beta   33.576
_cell_angle_gamma   33.576
_symmetry_Int_Tables_number   1
_cell_volume   132.529
_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  0.125  0.125  0.125  1.0
  Ti  Ti1  1  0.625  0.625  0.625  1.0
  Ti  Ti2  1  0.375  0.375  0.375  1.0
  Ti  Ti3  1  0.875  0.875  0.875  1.0
  In  In4  1  0.750  0.750  0.750  1.0
  In  In5  1  0.250  0.250  0.250  1.0
  Co  Co6  1  0.000  0.000  0.000  1.0
  Ni  Ni7  1  0.500  0.500  0.500  1.0
[/CIF]
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