The material structure described by Co3Ti is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. Ti(1) is bonded to twelve Co(1,1) atoms to form TiCo12 cuboctahedra that share corners with six equivalent Ti(1)Co12 cuboctahedra; corners with twelve equivalent Co(1)Ti4Co8 cuboctahedra; edges with eighteen Co(1,1)Ti4Co8 cuboctahedra; faces with eight equivalent Ti(1)Co12 cuboctahedra; and faces with twelve Co(1,1)Ti4Co8 cuboctahedra. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to four equivalent Ti(1) and eight Co(1,1) atoms to form distorted CoTi4Co8 cuboctahedra that share corners with four equivalent Ti(1)Co12 cuboctahedra; corners with fourteen equivalent Co(1)Ti4Co8 cuboctahedra; edges with six equivalent Ti(1)Co12 cuboctahedra; edges with twelve Co(1,1)Ti4Co8 cuboctahedra; faces with four equivalent Ti(1)Co12 cuboctahedra; and faces with sixteen Co(1,1)Ti4Co8 cuboctahedra. In the second Co site, Co(1) is bonded to four equivalent Ti(1) and eight equivalent Co(1) atoms to form distorted CoTi4Co8 cuboctahedra that share corners with four equivalent Ti(1)Co12 cuboctahedra; corners with fourteen Co(1,1)Ti4Co8 cuboctahedra; edges with six equivalent Ti(1)Co12 cuboctahedra; edges with twelve equivalent Co(1)Ti4Co8 cuboctahedra; faces with four equivalent Ti(1)Co12 cuboctahedra; and faces with sixteen Co(1,1)Ti4Co8 cuboctahedra. is represented by the CIF card [CIF]
data_TiCo3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.239
_cell_length_b   5.037
_cell_length_c   5.039
_cell_angle_alpha   119.980
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   93.181
_cell_formula_units_Z   2
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  0.750  0.667  0.334  1.0
  Ti  Ti1  1  0.250  0.333  0.666  1.0
  Co  Co2  1  0.750  0.162  0.323  1.0
  Co  Co3  1  0.750  0.162  0.838  1.0
  Co  Co4  1  0.750  0.677  0.838  1.0
  Co  Co5  1  0.250  0.838  0.677  1.0
  Co  Co6  1  0.250  0.838  0.162  1.0
  Co  Co7  1  0.250  0.323  0.162  1.0
[/CIF]
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The material structure described by Co3Ti is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. Ti(1) is bonded to twelve Co(1,1) atoms to form TiCo12 cuboctahedra that share corners with six equivalent Ti(1)Co12 cuboctahedra; corners with twelve equivalent Co(1)Ti4Co8 cuboctahedra; edges with eighteen Co(1,1)Ti4Co8 cuboctahedra; faces with eight equivalent Ti(1)Co12 cuboctahedra; and faces with twelve Co(1,1)Ti4Co8 cuboctahedra. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to four equivalent Ti(1) and eight Co(1,1) atoms to form distorted CoTi4Co8 cuboctahedra that share corners with four equivalent Ti(1)Co12 cuboctahedra; corners with fourteen equivalent Co(1)Ti4Co8 cuboctahedra; edges with six equivalent Ti(1)Co12 cuboctahedra; edges with twelve Co(1,1)Ti4Co8 cuboctahedra; faces with four equivalent Ti(1)Co12 cuboctahedra; and faces with sixteen Co(1,1)Ti4Co8 cuboctahedra. In the second Co site, Co(1) is bonded to four equivalent Ti(1) and eight equivalent Co(1) atoms to form distorted CoTi4Co8 cuboctahedra that share corners with four equivalent Ti(1)Co12 cuboctahedra; corners with fourteen Co(1,1)Ti4Co8 cuboctahedra; edges with six equivalent Ti(1)Co12 cuboctahedra; edges with twelve equivalent Co(1)Ti4Co8 cuboctahedra; faces with four equivalent Ti(1)Co12 cuboctahedra; and faces with sixteen Co(1,1)Ti4Co8 cuboctahedra. is represented by the CIF card [CIF]
data_TiCo3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.239
_cell_length_b   5.037
_cell_length_c   5.039
_cell_angle_alpha   119.980
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   93.181
_cell_formula_units_Z   2
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  0.750  0.667  0.334  1.0
  Ti  Ti1  1  0.250  0.333  0.666  1.0
  Co  Co2  1  0.750  0.162  0.323  1.0
  Co  Co3  1  0.750  0.162  0.838  1.0
  Co  Co4  1  0.750  0.677  0.838  1.0
  Co  Co5  1  0.250  0.838  0.677  1.0
  Co  Co6  1  0.250  0.838  0.162  1.0
  Co  Co7  1  0.250  0.323  0.162  1.0
[/CIF]
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