The material described by Ti8CoNi3In4 is Heusler-derived structured and crystallizes in the trigonal R-3m space group. There are seven inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a body-centered cubic geometry to one Ni(2), three equivalent Ni(1), one In(2), and three equivalent In(1) atoms. In the second Ti site, Ti(2) is bonded in a body-centered cubic geometry to one Ni(1), three equivalent Ni(2), and four equivalent In(1) atoms. In the third Ti site, Ti(3) is bonded in a body-centered cubic geometry to one Co(1), three equivalent Ni(1), one In(1), and three equivalent In(2) atoms. In the fourth Ti site, Ti(4) is bonded in a body-centered cubic geometry to three equivalent Co(1), one Ni(1), and four equivalent In(2) atoms. In the fifth Ti site, Ti(2) is bonded in a body-centered cubic geometry to one Ni(1), three equivalent Ni(2), and four equivalent In(1) atoms. In the sixth Ti site, Ti(4) is bonded in a body-centered cubic geometry to three equivalent Co(1), one Ni(1), and four equivalent In(2) atoms. In the seventh Ti site, Ti(2) is bonded in a body-centered cubic geometry to one Ni(1), three equivalent Ni(2), and four equivalent In(1) atoms. Co(1) is bonded in a body-centered cubic geometry to two equivalent Ti(3) and six Ti(4,4) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a body-centered cubic geometry to one Ti(2), one Ti(4), three equivalent Ti(1), and three equivalent Ti(3) atoms. In the second Ni site, Ni(2) is bonded in a body-centered cubic geometry to two equivalent Ti(1) and six Ti(2,2) atoms. There are two inequivalent In sites. In the first In site, In(1) is bonded in a body-centered cubic geometry to one Ti(3); three equivalent Ti(1); and four Ti(2,2) atoms. In the second In site, In(2) is bonded in a body-centered cubic geometry to one Ti(1), three equivalent Ti(3), and four equivalent Ti(4) atoms. is represented by the CIF card [CIF]
data_Ti8In4CoNi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.028
_cell_length_b   15.028
_cell_length_c   15.028
_cell_angle_alpha   17.486
_cell_angle_beta   17.486
_cell_angle_gamma   17.486
_symmetry_Int_Tables_number   1
_cell_volume   267.407
_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  0.563  0.563  0.563  1.0
  Ti  Ti1  1  0.812  0.812  0.812  1.0
  Ti  Ti2  1  0.062  0.062  0.062  1.0
  Ti  Ti3  1  0.313  0.313  0.313  1.0
  Ti  Ti4  1  0.188  0.188  0.188  1.0
  Ti  Ti5  1  0.437  0.437  0.437  1.0
  Ti  Ti6  1  0.687  0.687  0.687  1.0
  Ti  Ti7  1  0.938  0.938  0.938  1.0
  In  In8  1  0.875  0.875  0.875  1.0
  In  In9  1  0.125  0.125  0.125  1.0
  In  In10  1  0.375  0.375  0.375  1.0
  In  In11  1  0.625  0.625  0.625  1.0
  Co  Co12  1  0.000  0.000  0.000  1.0
  Ni  Ni13  1  0.250  0.250  0.250  1.0
  Ni  Ni14  1  0.500  0.500  0.500  1.0
  Ni  Ni15  1  0.750  0.750  0.750  1.0
[/CIF]
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The material described by Ti8CoNi3In4 is Heusler-derived structured and crystallizes in the trigonal R-3m space group. There are seven inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a body-centered cubic geometry to one Ni(2), three equivalent Ni(1), one In(2), and three equivalent In(1) atoms. In the second Ti site, Ti(2) is bonded in a body-centered cubic geometry to one Ni(1), three equivalent Ni(2), and four equivalent In(1) atoms. In the third Ti site, Ti(3) is bonded in a body-centered cubic geometry to one Co(1), three equivalent Ni(1), one In(1), and three equivalent In(2) atoms. In the fourth Ti site, Ti(4) is bonded in a body-centered cubic geometry to three equivalent Co(1), one Ni(1), and four equivalent In(2) atoms. In the fifth Ti site, Ti(2) is bonded in a body-centered cubic geometry to one Ni(1), three equivalent Ni(2), and four equivalent In(1) atoms. In the sixth Ti site, Ti(4) is bonded in a body-centered cubic geometry to three equivalent Co(1), one Ni(1), and four equivalent In(2) atoms. In the seventh Ti site, Ti(2) is bonded in a body-centered cubic geometry to one Ni(1), three equivalent Ni(2), and four equivalent In(1) atoms. Co(1) is bonded in a body-centered cubic geometry to two equivalent Ti(3) and six Ti(4,4) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a body-centered cubic geometry to one Ti(2), one Ti(4), three equivalent Ti(1), and three equivalent Ti(3) atoms. In the second Ni site, Ni(2) is bonded in a body-centered cubic geometry to two equivalent Ti(1) and six Ti(2,2) atoms. There are two inequivalent In sites. In the first In site, In(1) is bonded in a body-centered cubic geometry to one Ti(3); three equivalent Ti(1); and four Ti(2,2) atoms. In the second In site, In(2) is bonded in a body-centered cubic geometry to one Ti(1), three equivalent Ti(3), and four equivalent Ti(4) atoms. is represented by the CIF card [CIF]
data_Ti8In4CoNi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.028
_cell_length_b   15.028
_cell_length_c   15.028
_cell_angle_alpha   17.486
_cell_angle_beta   17.486
_cell_angle_gamma   17.486
_symmetry_Int_Tables_number   1
_cell_volume   267.407
_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  0.563  0.563  0.563  1.0
  Ti  Ti1  1  0.812  0.812  0.812  1.0
  Ti  Ti2  1  0.062  0.062  0.062  1.0
  Ti  Ti3  1  0.313  0.313  0.313  1.0
  Ti  Ti4  1  0.188  0.188  0.188  1.0
  Ti  Ti5  1  0.437  0.437  0.437  1.0
  Ti  Ti6  1  0.687  0.687  0.687  1.0
  Ti  Ti7  1  0.938  0.938  0.938  1.0
  In  In8  1  0.875  0.875  0.875  1.0
  In  In9  1  0.125  0.125  0.125  1.0
  In  In10  1  0.375  0.375  0.375  1.0
  In  In11  1  0.625  0.625  0.625  1.0
  Co  Co12  1  0.000  0.000  0.000  1.0
  Ni  Ni13  1  0.250  0.250  0.250  1.0
  Ni  Ni14  1  0.500  0.500  0.500  1.0
  Ni  Ni15  1  0.750  0.750  0.750  1.0
[/CIF]
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