The material described by Ti2CrSi6 is Titanium Disilicide-derived structured and crystallizes in the orthorhombic C222 space group. Ti(1) is bonded in a 10-coordinate geometry to two equivalent Si(1) and eight equivalent Si(2) atoms. Cr(1) is bonded in a 10-coordinate geometry to four equivalent Si(2) and six equivalent Si(1) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 10-coordinate geometry to two equivalent Ti(1), three equivalent Cr(1), two equivalent Si(2), and three equivalent Si(1) atoms. In the second Si site, Si(2) is bonded in a 10-coordinate geometry to four equivalent Ti(1), one Cr(1), one Si(1), and four equivalent Si(2) atoms. is represented by the CIF file [CIF]
data_Ti2CrSi6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.667
_cell_length_b   4.667
_cell_length_c   6.443
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.582
_symmetry_Int_Tables_number   1
_cell_volume   120.797
_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  0.500  0.000  0.665  1.0
  Ti  Ti1  1  0.000  0.500  0.335  1.0
  Cr  Cr2  1  0.500  0.500  0.000  1.0
  Si  Si3  1  0.165  0.835  0.000  1.0
  Si  Si4  1  0.163  0.320  0.673  1.0
  Si  Si5  1  0.680  0.837  0.327  1.0
  Si  Si6  1  0.835  0.165  0.000  1.0
  Si  Si7  1  0.837  0.680  0.673  1.0
  Si  Si8  1  0.320  0.163  0.327  1.0
[/CIF]
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The material described by Ti2CrSi6 is Titanium Disilicide-derived structured and crystallizes in the orthorhombic C222 space group. Ti(1) is bonded in a 10-coordinate geometry to two equivalent Si(1) and eight equivalent Si(2) atoms. Cr(1) is bonded in a 10-coordinate geometry to four equivalent Si(2) and six equivalent Si(1) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 10-coordinate geometry to two equivalent Ti(1), three equivalent Cr(1), two equivalent Si(2), and three equivalent Si(1) atoms. In the second Si site, Si(2) is bonded in a 10-coordinate geometry to four equivalent Ti(1), one Cr(1), one Si(1), and four equivalent Si(2) atoms. is represented by the CIF file [CIF]
data_Ti2CrSi6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.667
_cell_length_b   4.667
_cell_length_c   6.443
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.582
_symmetry_Int_Tables_number   1
_cell_volume   120.797
_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  0.500  0.000  0.665  1.0
  Ti  Ti1  1  0.000  0.500  0.335  1.0
  Cr  Cr2  1  0.500  0.500  0.000  1.0
  Si  Si3  1  0.165  0.835  0.000  1.0
  Si  Si4  1  0.163  0.320  0.673  1.0
  Si  Si5  1  0.680  0.837  0.327  1.0
  Si  Si6  1  0.835  0.165  0.000  1.0
  Si  Si7  1  0.837  0.680  0.673  1.0
  Si  Si8  1  0.320  0.163  0.327  1.0
[/CIF]
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