The material structure described by Ti3Cr3Si5 crystallizes in the orthorhombic Immm space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 6-coordinate geometry to two equivalent Ti(2), two equivalent Cr(2), one Si(1), one Si(3), two equivalent Si(2), and two equivalent Si(4) atoms. In the second Ti site, Ti(2) is bonded in a 12-coordinate geometry to two equivalent Ti(2), four equivalent Ti(1), two equivalent Si(3), and four equivalent Si(4) atoms. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a 7-coordinate geometry to one Si(3), two equivalent Si(1), two equivalent Si(2), and two equivalent Si(4) atoms. In the second Cr site, Cr(2) is bonded in a 10-coordinate geometry to two equivalent Ti(1), two equivalent Cr(2), two equivalent Si(1), two equivalent Si(3), and two equivalent Si(4) atoms. There are four inequivalent Si sites. In the first Si site, Si(1) is bonded in a 8-coordinate geometry to two equivalent Ti(1), two equivalent Cr(1), and four equivalent Cr(2) atoms. In the second Si site, Si(2) is bonded in a 8-coordinate geometry to four equivalent Ti(1), two equivalent Cr(1), and two equivalent Si(2) atoms. In the third Si site, Si(3) is bonded in a 9-coordinate geometry to two equivalent Ti(1), two equivalent Ti(2), one Cr(1), and four equivalent Cr(2) atoms. In the fourth Si site, Si(4) is bonded in a 7-coordinate geometry to two equivalent Ti(1), two equivalent Ti(2), one Cr(1), and two equivalent Cr(2) atoms. is represented by the CIF card [CIF]
data_Ti3Cr3Si5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.944
_cell_length_b   8.086
_cell_length_c   8.975
_cell_angle_alpha   63.224
_cell_angle_beta   74.011
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   304.689
_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  0.094  0.809  0.812  1.0
  Ti  Ti1  1  0.094  0.379  0.812  1.0
  Ti  Ti2  1  0.906  0.621  0.188  1.0
  Ti  Ti3  1  0.906  0.191  0.188  1.0
  Ti  Ti4  1  0.757  0.000  0.000  1.0
  Ti  Ti5  1  0.243  0.000  0.000  1.0
  Cr  Cr6  1  0.356  0.356  0.288  1.0
  Cr  Cr7  1  0.644  0.644  0.712  1.0
  Cr  Cr8  1  0.500  0.000  0.500  1.0
  Cr  Cr9  1  0.000  0.500  0.500  1.0
  Cr  Cr10  1  0.500  0.500  0.500  1.0
  Cr  Cr11  1  0.000  0.000  0.500  1.0
  Si  Si12  1  0.220  0.720  0.559  1.0
  Si  Si13  1  0.780  0.280  0.441  1.0
  Si  Si14  1  0.739  0.500  0.000  1.0
  Si  Si15  1  0.261  0.500  0.000  1.0
  Si  Si16  1  0.183  0.183  0.634  1.0
  Si  Si17  1  0.817  0.817  0.366  1.0
  Si  Si18  1  0.388  0.090  0.224  1.0
  Si  Si19  1  0.388  0.687  0.224  1.0
  Si  Si20  1  0.612  0.313  0.776  1.0
  Si  Si21  1  0.612  0.910  0.776  1.0
[/CIF]
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The material structure described by Ti3Cr3Si5 crystallizes in the orthorhombic Immm space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 6-coordinate geometry to two equivalent Ti(2), two equivalent Cr(2), one Si(1), one Si(3), two equivalent Si(2), and two equivalent Si(4) atoms. In the second Ti site, Ti(2) is bonded in a 12-coordinate geometry to two equivalent Ti(2), four equivalent Ti(1), two equivalent Si(3), and four equivalent Si(4) atoms. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a 7-coordinate geometry to one Si(3), two equivalent Si(1), two equivalent Si(2), and two equivalent Si(4) atoms. In the second Cr site, Cr(2) is bonded in a 10-coordinate geometry to two equivalent Ti(1), two equivalent Cr(2), two equivalent Si(1), two equivalent Si(3), and two equivalent Si(4) atoms. There are four inequivalent Si sites. In the first Si site, Si(1) is bonded in a 8-coordinate geometry to two equivalent Ti(1), two equivalent Cr(1), and four equivalent Cr(2) atoms. In the second Si site, Si(2) is bonded in a 8-coordinate geometry to four equivalent Ti(1), two equivalent Cr(1), and two equivalent Si(2) atoms. In the third Si site, Si(3) is bonded in a 9-coordinate geometry to two equivalent Ti(1), two equivalent Ti(2), one Cr(1), and four equivalent Cr(2) atoms. In the fourth Si site, Si(4) is bonded in a 7-coordinate geometry to two equivalent Ti(1), two equivalent Ti(2), one Cr(1), and two equivalent Cr(2) atoms. is represented by the CIF card [CIF]
data_Ti3Cr3Si5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.944
_cell_length_b   8.086
_cell_length_c   8.975
_cell_angle_alpha   63.224
_cell_angle_beta   74.011
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   304.689
_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  0.094  0.809  0.812  1.0
  Ti  Ti1  1  0.094  0.379  0.812  1.0
  Ti  Ti2  1  0.906  0.621  0.188  1.0
  Ti  Ti3  1  0.906  0.191  0.188  1.0
  Ti  Ti4  1  0.757  0.000  0.000  1.0
  Ti  Ti5  1  0.243  0.000  0.000  1.0
  Cr  Cr6  1  0.356  0.356  0.288  1.0
  Cr  Cr7  1  0.644  0.644  0.712  1.0
  Cr  Cr8  1  0.500  0.000  0.500  1.0
  Cr  Cr9  1  0.000  0.500  0.500  1.0
  Cr  Cr10  1  0.500  0.500  0.500  1.0
  Cr  Cr11  1  0.000  0.000  0.500  1.0
  Si  Si12  1  0.220  0.720  0.559  1.0
  Si  Si13  1  0.780  0.280  0.441  1.0
  Si  Si14  1  0.739  0.500  0.000  1.0
  Si  Si15  1  0.261  0.500  0.000  1.0
  Si  Si16  1  0.183  0.183  0.634  1.0
  Si  Si17  1  0.817  0.817  0.366  1.0
  Si  Si18  1  0.388  0.090  0.224  1.0
  Si  Si19  1  0.388  0.687  0.224  1.0
  Si  Si20  1  0.612  0.313  0.776  1.0
  Si  Si21  1  0.612  0.910  0.776  1.0
[/CIF]
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