The crystal structure described by Ti3Cr17Si12 crystallizes in the orthorhombic Amm2 space group. There are three inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 14-coordinate geometry to two equivalent Ti(3), four equivalent Cr(2), four equivalent Cr(4), two equivalent Si(3), and two equivalent Si(5) atoms. In the second Ti site, Ti(2) is bonded in a 14-coordinate geometry to two equivalent Cr(5), four equivalent Cr(1), four equivalent Cr(3), two equivalent Si(2), and two equivalent Si(4) atoms. In the third Ti site, Ti(3) is bonded in a 14-coordinate geometry to two equivalent Ti(1), four equivalent Cr(2), four equivalent Cr(4), two equivalent Si(3), and two equivalent Si(5) atoms. There are five inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a 6-coordinate geometry to one Ti(2), one Si(2), two equivalent Si(1), and three equivalent Si(4) atoms. In the second Cr site, Cr(2) is bonded in a 6-coordinate geometry to one Ti(1), one Ti(3), one Si(3), two equivalent Si(1), and three equivalent Si(5) atoms. In the third Cr site, Cr(3) is bonded in a 6-coordinate geometry to one Ti(2), one Si(3), one Si(4), two equivalent Si(1), and two equivalent Si(2) atoms. In the fourth Cr site, Cr(4) is bonded in a 6-coordinate geometry to one Ti(1), one Ti(3), one Si(2), one Si(5), two equivalent Si(1), and two equivalent Si(3) atoms. In the fifth Cr site, Cr(5) is bonded in a 6-coordinate geometry to two equivalent Ti(2), two equivalent Si(2), and two equivalent Si(4) atoms. There are five inequivalent Si sites. In the first Si site, Si(1) is bonded in a 10-coordinate geometry to two equivalent Cr(1), two equivalent Cr(2), two equivalent Cr(3), two equivalent Cr(4), and two equivalent Si(1) atoms. In the second Si site, Si(2) is bonded in a 10-coordinate geometry to one Ti(2), one Cr(5), two equivalent Cr(1), two equivalent Cr(4), and four equivalent Cr(3) atoms. In the third Si site, Si(3) is bonded in a 10-coordinate geometry to one Ti(1), one Ti(3), two equivalent Cr(2), two equivalent Cr(3), and four equivalent Cr(4) atoms. In the fourth Si site, Si(4) is bonded in a 10-coordinate geometry to one Ti(2), one Cr(5), two equivalent Cr(3), and six equivalent Cr(1) atoms. In the fifth Si site, Si(5) is bonded in a 10-coordinate geometry to one Ti(1), one Ti(3), two equivalent Cr(4), and six equivalent Cr(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ti3Cr17Si12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.637
_cell_length_b   6.889
_cell_length_c   12.978
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   109.668
_symmetry_Int_Tables_number   1
_cell_volume   390.403
_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  1.000  0.500  0.750  1.0
  Ti  Ti1  1  0.999  0.500  0.250  1.0
  Ti  Ti2  1  0.500  0.500  0.750  1.0
  Cr  Cr3  1  0.924  0.844  0.350  1.0
  Cr  Cr4  1  0.422  0.845  0.852  1.0
  Cr  Cr5  1  0.580  0.156  0.150  1.0
  Cr  Cr6  1  0.077  0.155  0.648  1.0
  Cr  Cr7  1  0.147  0.297  0.079  1.0
  Cr  Cr8  1  0.648  0.296  0.576  1.0
  Cr  Cr9  1  0.350  0.703  0.421  1.0
  Cr  Cr10  1  0.852  0.704  0.924  1.0
  Cr  Cr11  1  0.350  0.703  0.079  1.0
  Cr  Cr12  1  0.852  0.704  0.576  1.0
  Cr  Cr13  1  0.147  0.297  0.421  1.0
  Cr  Cr14  1  0.648  0.296  0.924  1.0
  Cr  Cr15  1  0.580  0.156  0.350  1.0
  Cr  Cr16  1  0.077  0.155  0.852  1.0
  Cr  Cr17  1  0.924  0.844  0.150  1.0
  Cr  Cr18  1  0.422  0.845  0.648  1.0
  Cr  Cr19  1  0.501  0.500  0.250  1.0
  Si  Si20  1  0.250  0.001  0.001  1.0
  Si  Si21  1  0.750  0.999  0.499  1.0
  Si  Si22  1  0.750  0.999  0.001  1.0
  Si  Si23  1  0.250  0.001  0.499  1.0
  Si  Si24  1  0.741  0.500  0.078  1.0
  Si  Si25  1  0.249  0.500  0.575  1.0
  Si  Si26  1  0.741  0.500  0.422  1.0
  Si  Si27  1  0.249  0.500  0.925  1.0
  Si  Si28  1  0.433  0.845  0.250  1.0
  Si  Si29  1  0.925  0.850  0.750  1.0
  Si  Si30  1  0.088  0.155  0.250  1.0
  Si  Si31  1  0.575  0.150  0.750  1.0
[/CIF]
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The crystal structure described by Ti3Cr17Si12 crystallizes in the orthorhombic Amm2 space group. There are three inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 14-coordinate geometry to two equivalent Ti(3), four equivalent Cr(2), four equivalent Cr(4), two equivalent Si(3), and two equivalent Si(5) atoms. In the second Ti site, Ti(2) is bonded in a 14-coordinate geometry to two equivalent Cr(5), four equivalent Cr(1), four equivalent Cr(3), two equivalent Si(2), and two equivalent Si(4) atoms. In the third Ti site, Ti(3) is bonded in a 14-coordinate geometry to two equivalent Ti(1), four equivalent Cr(2), four equivalent Cr(4), two equivalent Si(3), and two equivalent Si(5) atoms. There are five inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a 6-coordinate geometry to one Ti(2), one Si(2), two equivalent Si(1), and three equivalent Si(4) atoms. In the second Cr site, Cr(2) is bonded in a 6-coordinate geometry to one Ti(1), one Ti(3), one Si(3), two equivalent Si(1), and three equivalent Si(5) atoms. In the third Cr site, Cr(3) is bonded in a 6-coordinate geometry to one Ti(2), one Si(3), one Si(4), two equivalent Si(1), and two equivalent Si(2) atoms. In the fourth Cr site, Cr(4) is bonded in a 6-coordinate geometry to one Ti(1), one Ti(3), one Si(2), one Si(5), two equivalent Si(1), and two equivalent Si(3) atoms. In the fifth Cr site, Cr(5) is bonded in a 6-coordinate geometry to two equivalent Ti(2), two equivalent Si(2), and two equivalent Si(4) atoms. There are five inequivalent Si sites. In the first Si site, Si(1) is bonded in a 10-coordinate geometry to two equivalent Cr(1), two equivalent Cr(2), two equivalent Cr(3), two equivalent Cr(4), and two equivalent Si(1) atoms. In the second Si site, Si(2) is bonded in a 10-coordinate geometry to one Ti(2), one Cr(5), two equivalent Cr(1), two equivalent Cr(4), and four equivalent Cr(3) atoms. In the third Si site, Si(3) is bonded in a 10-coordinate geometry to one Ti(1), one Ti(3), two equivalent Cr(2), two equivalent Cr(3), and four equivalent Cr(4) atoms. In the fourth Si site, Si(4) is bonded in a 10-coordinate geometry to one Ti(2), one Cr(5), two equivalent Cr(3), and six equivalent Cr(1) atoms. In the fifth Si site, Si(5) is bonded in a 10-coordinate geometry to one Ti(1), one Ti(3), two equivalent Cr(4), and six equivalent Cr(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ti3Cr17Si12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.637
_cell_length_b   6.889
_cell_length_c   12.978
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   109.668
_symmetry_Int_Tables_number   1
_cell_volume   390.403
_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  1.000  0.500  0.750  1.0
  Ti  Ti1  1  0.999  0.500  0.250  1.0
  Ti  Ti2  1  0.500  0.500  0.750  1.0
  Cr  Cr3  1  0.924  0.844  0.350  1.0
  Cr  Cr4  1  0.422  0.845  0.852  1.0
  Cr  Cr5  1  0.580  0.156  0.150  1.0
  Cr  Cr6  1  0.077  0.155  0.648  1.0
  Cr  Cr7  1  0.147  0.297  0.079  1.0
  Cr  Cr8  1  0.648  0.296  0.576  1.0
  Cr  Cr9  1  0.350  0.703  0.421  1.0
  Cr  Cr10  1  0.852  0.704  0.924  1.0
  Cr  Cr11  1  0.350  0.703  0.079  1.0
  Cr  Cr12  1  0.852  0.704  0.576  1.0
  Cr  Cr13  1  0.147  0.297  0.421  1.0
  Cr  Cr14  1  0.648  0.296  0.924  1.0
  Cr  Cr15  1  0.580  0.156  0.350  1.0
  Cr  Cr16  1  0.077  0.155  0.852  1.0
  Cr  Cr17  1  0.924  0.844  0.150  1.0
  Cr  Cr18  1  0.422  0.845  0.648  1.0
  Cr  Cr19  1  0.501  0.500  0.250  1.0
  Si  Si20  1  0.250  0.001  0.001  1.0
  Si  Si21  1  0.750  0.999  0.499  1.0
  Si  Si22  1  0.750  0.999  0.001  1.0
  Si  Si23  1  0.250  0.001  0.499  1.0
  Si  Si24  1  0.741  0.500  0.078  1.0
  Si  Si25  1  0.249  0.500  0.575  1.0
  Si  Si26  1  0.741  0.500  0.422  1.0
  Si  Si27  1  0.249  0.500  0.925  1.0
  Si  Si28  1  0.433  0.845  0.250  1.0
  Si  Si29  1  0.925  0.850  0.750  1.0
  Si  Si30  1  0.088  0.155  0.250  1.0
  Si  Si31  1  0.575  0.150  0.750  1.0
[/CIF]
.