The material structure described by Ti2Cr3Si 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 Cr(1), and three equivalent Si(1) atoms. Cr(1) is bonded to six equivalent Ti(1), four equivalent Cr(1), and two equivalent Si(1) atoms to form distorted CrTi6Cr4Si2 cuboctahedra that share corners with four equivalent Si(1)Ti6Cr6 cuboctahedra, corners with fourteen equivalent Cr(1)Ti6Cr4Si2 cuboctahedra, edges with six equivalent Cr(1)Ti6Cr4Si2 cuboctahedra, faces with six equivalent Si(1)Ti6Cr6 cuboctahedra, and faces with twelve equivalent Cr(1)Ti6Cr4Si2 cuboctahedra. Si(1) is bonded to six equivalent Ti(1) and six equivalent Cr(1) atoms to form SiTi6Cr6 cuboctahedra that share corners with twelve equivalent Cr(1)Ti6Cr4Si2 cuboctahedra, edges with six equivalent Si(1)Ti6Cr6 cuboctahedra, faces with two equivalent Si(1)Ti6Cr6 cuboctahedra, and faces with eighteen equivalent Cr(1)Ti6Cr4Si2 cuboctahedra. is represented by the CIF file [CIF]
data_Ti2Cr3Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.799
_cell_length_b   4.799
_cell_length_c   8.051
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   160.564
_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  0.438  1.0
  Ti  Ti1  1  0.667  0.333  0.562  1.0
  Ti  Ti2  1  0.667  0.333  0.938  1.0
  Ti  Ti3  1  0.333  0.667  0.062  1.0
  Cr  Cr4  1  0.827  0.173  0.250  1.0
  Cr  Cr5  1  0.827  0.654  0.250  1.0
  Cr  Cr6  1  0.346  0.173  0.250  1.0
  Cr  Cr7  1  0.173  0.827  0.750  1.0
  Cr  Cr8  1  0.173  0.346  0.750  1.0
  Cr  Cr9  1  0.654  0.827  0.750  1.0
  Si  Si10  1  0.000  0.000  0.500  1.0
  Si  Si11  1  0.000  0.000  0.000  1.0
[/CIF]
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The material structure described by Ti2Cr3Si 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 Cr(1), and three equivalent Si(1) atoms. Cr(1) is bonded to six equivalent Ti(1), four equivalent Cr(1), and two equivalent Si(1) atoms to form distorted CrTi6Cr4Si2 cuboctahedra that share corners with four equivalent Si(1)Ti6Cr6 cuboctahedra, corners with fourteen equivalent Cr(1)Ti6Cr4Si2 cuboctahedra, edges with six equivalent Cr(1)Ti6Cr4Si2 cuboctahedra, faces with six equivalent Si(1)Ti6Cr6 cuboctahedra, and faces with twelve equivalent Cr(1)Ti6Cr4Si2 cuboctahedra. Si(1) is bonded to six equivalent Ti(1) and six equivalent Cr(1) atoms to form SiTi6Cr6 cuboctahedra that share corners with twelve equivalent Cr(1)Ti6Cr4Si2 cuboctahedra, edges with six equivalent Si(1)Ti6Cr6 cuboctahedra, faces with two equivalent Si(1)Ti6Cr6 cuboctahedra, and faces with eighteen equivalent Cr(1)Ti6Cr4Si2 cuboctahedra. is represented by the CIF file [CIF]
data_Ti2Cr3Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.799
_cell_length_b   4.799
_cell_length_c   8.051
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   160.564
_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  0.438  1.0
  Ti  Ti1  1  0.667  0.333  0.562  1.0
  Ti  Ti2  1  0.667  0.333  0.938  1.0
  Ti  Ti3  1  0.333  0.667  0.062  1.0
  Cr  Cr4  1  0.827  0.173  0.250  1.0
  Cr  Cr5  1  0.827  0.654  0.250  1.0
  Cr  Cr6  1  0.346  0.173  0.250  1.0
  Cr  Cr7  1  0.173  0.827  0.750  1.0
  Cr  Cr8  1  0.173  0.346  0.750  1.0
  Cr  Cr9  1  0.654  0.827  0.750  1.0
  Si  Si10  1  0.000  0.000  0.500  1.0
  Si  Si11  1  0.000  0.000  0.000  1.0
[/CIF]
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