The compound described by Ti2Cr4Si5 crystallizes in the orthorhombic Ibam space group. Ti(1) is bonded in a 7-coordinate geometry to one Si(3), two equivalent Si(2), and four equivalent Si(1) atoms. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a 8-coordinate geometry to two equivalent Cr(1), two equivalent Si(3), and four equivalent Si(1) atoms. In the second Cr site, Cr(2) is bonded in a 7-coordinate geometry to one Si(1), two equivalent Si(2), and four equivalent Si(3) atoms. There are three inequivalent Si sites. In the first Si site, Si(1) is bonded in a 9-coordinate geometry to four equivalent Ti(1), one Cr(2), and four equivalent Cr(1) atoms. In the second Si site, Si(2) is bonded in a 10-coordinate geometry to four equivalent Ti(1), four equivalent Cr(2), and two equivalent Si(2) atoms. In the third Si site, Si(3) is bonded in a 10-coordinate geometry to one Ti(1), two equivalent Cr(1), four equivalent Cr(2), and three equivalent Si(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ti2Cr4Si5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.989
_cell_length_b   8.988
_cell_length_c   8.988
_cell_angle_alpha   149.324
_cell_angle_beta   131.509
_cell_angle_gamma   58.480
_symmetry_Int_Tables_number   1
_cell_volume   275.322
_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  0.743  0.358  0.385  1.0
  Ti  Ti1  1  0.257  0.642  0.615  1.0
  Ti  Ti2  1  0.974  0.858  0.115  1.0
  Ti  Ti3  1  0.026  0.142  0.885  1.0
  Cr  Cr4  1  0.308  0.558  0.250  1.0
  Cr  Cr5  1  0.692  0.442  0.750  1.0
  Cr  Cr6  1  0.692  0.942  0.250  1.0
  Cr  Cr7  1  0.308  0.058  0.750  1.0
  Cr  Cr8  1  0.315  0.064  0.251  1.0
  Cr  Cr9  1  0.685  0.936  0.749  1.0
  Cr  Cr10  1  0.813  0.564  0.249  1.0
  Cr  Cr11  1  0.187  0.436  0.751  1.0
  Si  Si12  1  0.421  0.213  0.208  1.0
  Si  Si13  1  0.579  0.787  0.792  1.0
  Si  Si14  1  0.005  0.713  0.292  1.0
  Si  Si15  1  0.995  0.287  0.708  1.0
  Si  Si16  1  1.000  0.250  0.250  1.0
  Si  Si17  1  0.000  0.750  0.750  1.0
  Si  Si18  1  0.517  0.436  0.082  1.0
  Si  Si19  1  0.483  0.564  0.918  1.0
  Si  Si20  1  0.354  0.936  0.419  1.0
  Si  Si21  1  0.646  0.064  0.581  1.0
[/CIF]
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The compound described by Ti2Cr4Si5 crystallizes in the orthorhombic Ibam space group. Ti(1) is bonded in a 7-coordinate geometry to one Si(3), two equivalent Si(2), and four equivalent Si(1) atoms. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a 8-coordinate geometry to two equivalent Cr(1), two equivalent Si(3), and four equivalent Si(1) atoms. In the second Cr site, Cr(2) is bonded in a 7-coordinate geometry to one Si(1), two equivalent Si(2), and four equivalent Si(3) atoms. There are three inequivalent Si sites. In the first Si site, Si(1) is bonded in a 9-coordinate geometry to four equivalent Ti(1), one Cr(2), and four equivalent Cr(1) atoms. In the second Si site, Si(2) is bonded in a 10-coordinate geometry to four equivalent Ti(1), four equivalent Cr(2), and two equivalent Si(2) atoms. In the third Si site, Si(3) is bonded in a 10-coordinate geometry to one Ti(1), two equivalent Cr(1), four equivalent Cr(2), and three equivalent Si(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ti2Cr4Si5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.989
_cell_length_b   8.988
_cell_length_c   8.988
_cell_angle_alpha   149.324
_cell_angle_beta   131.509
_cell_angle_gamma   58.480
_symmetry_Int_Tables_number   1
_cell_volume   275.322
_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  0.743  0.358  0.385  1.0
  Ti  Ti1  1  0.257  0.642  0.615  1.0
  Ti  Ti2  1  0.974  0.858  0.115  1.0
  Ti  Ti3  1  0.026  0.142  0.885  1.0
  Cr  Cr4  1  0.308  0.558  0.250  1.0
  Cr  Cr5  1  0.692  0.442  0.750  1.0
  Cr  Cr6  1  0.692  0.942  0.250  1.0
  Cr  Cr7  1  0.308  0.058  0.750  1.0
  Cr  Cr8  1  0.315  0.064  0.251  1.0
  Cr  Cr9  1  0.685  0.936  0.749  1.0
  Cr  Cr10  1  0.813  0.564  0.249  1.0
  Cr  Cr11  1  0.187  0.436  0.751  1.0
  Si  Si12  1  0.421  0.213  0.208  1.0
  Si  Si13  1  0.579  0.787  0.792  1.0
  Si  Si14  1  0.005  0.713  0.292  1.0
  Si  Si15  1  0.995  0.287  0.708  1.0
  Si  Si16  1  1.000  0.250  0.250  1.0
  Si  Si17  1  0.000  0.750  0.750  1.0
  Si  Si18  1  0.517  0.436  0.082  1.0
  Si  Si19  1  0.483  0.564  0.918  1.0
  Si  Si20  1  0.354  0.936  0.419  1.0
  Si  Si21  1  0.646  0.064  0.581  1.0
[/CIF]
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