The compound described by Ti2Co3Si is Hexagonal Laves-derived structured and crystallizes in the hexagonal P6_3/mmc space group. Ti(1) is bonded in a 16-coordinate geometry to four equivalent Ti(1), nine equivalent Co(1), and three equivalent Si(1) atoms. Co(1) is bonded to six equivalent Ti(1), four equivalent Co(1), and two equivalent Si(1) atoms to form CoTi6Co4Si2 cuboctahedra that share corners with four equivalent Si(1)Ti6Co6 cuboctahedra, corners with fourteen equivalent Co(1)Ti6Co4Si2 cuboctahedra, edges with six equivalent Co(1)Ti6Co4Si2 cuboctahedra, faces with six equivalent Si(1)Ti6Co6 cuboctahedra, and faces with twelve equivalent Co(1)Ti6Co4Si2 cuboctahedra. Si(1) is bonded to six equivalent Ti(1) and six equivalent Co(1) atoms to form SiTi6Co6 cuboctahedra that share corners with twelve equivalent Co(1)Ti6Co4Si2 cuboctahedra, edges with six equivalent Si(1)Ti6Co6 cuboctahedra, faces with two equivalent Si(1)Ti6Co6 cuboctahedra, and faces with eighteen equivalent Co(1)Ti6Co4Si2 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ti2Co3Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.787
_cell_length_b   4.787
_cell_length_c   7.295
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   144.746
_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  0.333  0.667  0.939  1.0
  Ti  Ti1  1  0.667  0.333  0.061  1.0
  Ti  Ti2  1  0.667  0.333  0.439  1.0
  Ti  Ti3  1  0.333  0.667  0.561  1.0
  Co  Co4  1  0.829  0.171  0.750  1.0
  Co  Co5  1  0.829  0.658  0.750  1.0
  Co  Co6  1  0.342  0.171  0.750  1.0
  Co  Co7  1  0.171  0.829  0.250  1.0
  Co  Co8  1  0.171  0.342  0.250  1.0
  Co  Co9  1  0.658  0.829  0.250  1.0
  Si  Si10  1  1.000  1.000  0.000  1.0
  Si  Si11  1  1.000  1.000  0.500  1.0
[/CIF]
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The compound described by Ti2Co3Si is Hexagonal Laves-derived structured and crystallizes in the hexagonal P6_3/mmc space group. Ti(1) is bonded in a 16-coordinate geometry to four equivalent Ti(1), nine equivalent Co(1), and three equivalent Si(1) atoms. Co(1) is bonded to six equivalent Ti(1), four equivalent Co(1), and two equivalent Si(1) atoms to form CoTi6Co4Si2 cuboctahedra that share corners with four equivalent Si(1)Ti6Co6 cuboctahedra, corners with fourteen equivalent Co(1)Ti6Co4Si2 cuboctahedra, edges with six equivalent Co(1)Ti6Co4Si2 cuboctahedra, faces with six equivalent Si(1)Ti6Co6 cuboctahedra, and faces with twelve equivalent Co(1)Ti6Co4Si2 cuboctahedra. Si(1) is bonded to six equivalent Ti(1) and six equivalent Co(1) atoms to form SiTi6Co6 cuboctahedra that share corners with twelve equivalent Co(1)Ti6Co4Si2 cuboctahedra, edges with six equivalent Si(1)Ti6Co6 cuboctahedra, faces with two equivalent Si(1)Ti6Co6 cuboctahedra, and faces with eighteen equivalent Co(1)Ti6Co4Si2 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ti2Co3Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.787
_cell_length_b   4.787
_cell_length_c   7.295
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   144.746
_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  0.333  0.667  0.939  1.0
  Ti  Ti1  1  0.667  0.333  0.061  1.0
  Ti  Ti2  1  0.667  0.333  0.439  1.0
  Ti  Ti3  1  0.333  0.667  0.561  1.0
  Co  Co4  1  0.829  0.171  0.750  1.0
  Co  Co5  1  0.829  0.658  0.750  1.0
  Co  Co6  1  0.342  0.171  0.750  1.0
  Co  Co7  1  0.171  0.829  0.250  1.0
  Co  Co8  1  0.171  0.342  0.250  1.0
  Co  Co9  1  0.658  0.829  0.250  1.0
  Si  Si10  1  1.000  1.000  0.000  1.0
  Si  Si11  1  1.000  1.000  0.500  1.0
[/CIF]
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